N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide

C23H22N2O3S — CID 59761459

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)s2)cc1
InChIInChI=1S/C23H22N2O3S/c1-14-3-4-16(22(26)24-17-7-8-17)13-19(14)25-23(27)21-12-11-20(29-21)15-5-9-18(28-2)10-6-15/h3-6,9-13,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyKVSYGXJLPJDFLW-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.88
Rot. Bonds6

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 59761459) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID59761459
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)s2)cc1
InChIInChI=1S/C23H22N2O3S/c1-14-3-4-16(22(26)24-17-7-8-17)13-19(14)25-23(27)21-12-11-20(29-21)15-5-9-18(28-2)10-6-15/h3-6,9-13,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyKVSYGXJLPJDFLW-UHFFFAOYSA-N
XLogP4.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-isocyanophenyl)thiophene-2-carboxamide
CID 59761442
tert-butyl 4-[4-[5-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]benzoyl]piperazine-1-carboxylate
CID 59761404
5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 59761393
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 175265911
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 38408482
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]thiophene-2-carboxamide
CID 58328209
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide (CID 59761459) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)s2)cc1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is KVSYGXJLPJDFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-14-3-4-16(22(26)24-17-7-8-17)13-19(14)25-23(27)21-12-11-20(29-21)15-5-9-18(28-2)10-6-15/h3-6,9-13,17H,7-8H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 59761459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).