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2-{[(4-bromophenoxy)acetyl]amino}-4-(4-tert-butylphenyl)-5-methyl-3-thiophenecarboxamide

View entire compound with spectra: 2 NMR

2-{[(4-bromophenoxy)acetyl]amino}-4-(4-tert-butylphenyl)-5-methyl-3-thiophenecarboxamide
SpectraBase Compound ID IslBKIpnpav
InChI InChI=1S/C24H25BrN2O3S/c1-14-20(15-5-7-16(8-6-15)24(2,3)4)21(22(26)29)23(31-14)27-19(28)13-30-18-11-9-17(25)10-12-18/h5-12H,13H2,1-4H3,(H2,26,29)(H,27,28)
InChIKey JYZQKIIPUNNEPW-UHFFFAOYSA-N
Mol Weight 501.44 g/mol
Molecular Formula C24H25BrN2O3S
Exact Mass 500.076927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpMu9wwAxsx
Name 2-{[(4-bromophenoxy)acetyl]amino}-4-(4-tert-butylphenyl)-5-methyl-3-thiophenecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.076926844 u
Formula C24H25BrN2O3S
InChI InChI=1S/C24H25BrN2O3S/c1-14-20(15-5-7-16(8-6-15)24(2,3)4)21(22(26)29)23(31-14)27-19(28)13-30-18-11-9-17(25)10-12-18/h5-12H,13H2,1-4H3,(H2,26,29)(H,27,28)
InChIKey JYZQKIIPUNNEPW-UHFFFAOYSA-N
Molecular Weight 501.439 g/mol
SMILES NC(C1=C(SC(=C1C1=CC=C(C(C)(C)C)C=C1)C)NC(=O)COC=1C=CC(=CC1)Br)=O