4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide

C22H19N3O3S — CID 1107381

IUPAC4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(NC(=O)c2ccccc2C)c(C#N)c1C
InChIInChI=1S/C22H19N3O3S/c1-13-8-4-5-9-15(13)20(26)25-22-16(12-23)14(2)19(29-22)21(27)24-17-10-6-7-11-18(17)28-3/h4-11H,1-3H3,(H,24,27)(H,25,26)
InChIKeyFMQJCSAYZFGWOA-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.75
Rot. Bonds5

About 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide

4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide (PubChem CID 1107381) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide
PubChem CID1107381
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(NC(=O)c2ccccc2C)c(C#N)c1C
InChIInChI=1S/C22H19N3O3S/c1-13-8-4-5-9-15(13)20(26)25-22-16(12-23)14(2)19(29-22)21(27)24-17-10-6-7-11-18(17)28-3/h4-11H,1-3H3,(H,24,27)(H,25,26)
InChIKeyFMQJCSAYZFGWOA-UHFFFAOYSA-N
XLogP4.75
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide
CID 831625
methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
4-cyano-N-(2-fluorophenyl)-3-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]thiophene-2-carboxamide
CID 1131032
4-cyano-3-methyl-N-(2-methylphenyl)-5-[(2-phenoxyacetyl)amino]thiophene-2-carboxamide
CID 1107403
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
methyl 5-[(2-ethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1131172
4-cyano-5-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]-3-methyl-N-phenylthiophene-2-carboxamide
CID 19317859
methyl 4-cyano-5-[[4-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 4640060
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methoxybenzamide
CID 2175832
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-methoxybenzamide
CID 4155584
methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 17064901
methyl 2-[(3-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071062

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide (CID 1107381) is 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide is COc1ccccc1NC(=O)c1sc(NC(=O)c2ccccc2C)c(C#N)c1C.
What is the InChIKey of 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide?
The InChIKey is FMQJCSAYZFGWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-13-8-4-5-9-15(13)20(26)25-22-16(12-23)14(2)19(29-22)21(27)24-17-10-6-7-11-18(17)28-3/h4-11H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide?
4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-methoxyphenyl)-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 1107381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).