N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

C27H24N2O4S — CID 35091110

IUPACN-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24N2O4S/c1-32-22-12-8-18(9-13-22)25(19-10-14-23(33-2)15-11-19)29-26(30)20-5-3-6-21(17-20)28-27(31)24-7-4-16-34-24/h3-17,25H,1-2H3,(H,28,31)(H,29,30)
InChIKeyWRYKJGYUVWKJKM-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.54
Rot. Bonds8

About N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 35091110) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID35091110
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC NameN-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24N2O4S/c1-32-22-12-8-18(9-13-22)25(19-10-14-23(33-2)15-11-19)29-26(30)20-5-3-6-21(17-20)28-27(31)24-7-4-16-34-24/h3-17,25H,1-2H3,(H,28,31)(H,29,30)
InChIKeyWRYKJGYUVWKJKM-UHFFFAOYSA-N
XLogP5.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18161069
N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide
CID 55824777
2-(4-methoxyphenyl)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492077
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9299373
dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium
CID 8938021
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
(2S)-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 120614324

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 35091110) is N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc(C(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WRYKJGYUVWKJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-32-22-12-8-18(9-13-22)25(19-10-14-23(33-2)15-11-19)29-26(30)20-5-3-6-21(17-20)28-27(31)24-7-4-16-34-24/h3-17,25H,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 35091110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).