5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide

C24H23N3O3S — CID 59761393

IUPAC5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cc(C(N)=O)ccc2C)s1
InChIInChI=1S/C24H23N3O3S/c1-13-3-5-15(22(25)28)11-18(13)20-9-10-21(31-20)24(30)27-19-12-16(6-4-14(19)2)23(29)26-17-7-8-17/h3-6,9-12,17H,7-8H2,1-2H3,(H2,25,28)(H,26,29)(H,27,30)
InChIKeyRFNCPRLYNHEEER-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.28
Rot. Bonds6

About 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide

5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide (PubChem CID 59761393) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
PubChem CID59761393
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cc(C(N)=O)ccc2C)s1
InChIInChI=1S/C24H23N3O3S/c1-13-3-5-15(22(25)28)11-18(13)20-9-10-21(31-20)24(30)27-19-12-16(6-4-14(19)2)23(29)26-17-7-8-17/h3-6,9-12,17H,7-8H2,1-2H3,(H2,25,28)(H,26,29)(H,27,30)
InChIKeyRFNCPRLYNHEEER-UHFFFAOYSA-N
XLogP4.28
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59761459
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-isocyanophenyl)thiophene-2-carboxamide
CID 59761442
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
tert-butyl 4-[4-[5-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]benzoyl]piperazine-1-carboxylate
CID 59761404
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 175265911
N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 58328257
5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 123461934
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191

Frequently Asked Questions

What is the IUPAC name of 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide (CID 59761393) is 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cc(C(N)=O)ccc2C)s1.
What is the InChIKey of 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide?
The InChIKey is RFNCPRLYNHEEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-13-3-5-15(22(25)28)11-18(13)20-9-10-21(31-20)24(30)27-19-12-16(6-4-14(19)2)23(29)26-17-7-8-17/h3-6,9-12,17H,7-8H2,1-2H3,(H2,25,28)(H,26,29)(H,27,30).
What are the key properties of 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide?
5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 59761393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).