4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide

C17H17N3O2S — CID 841069

IUPAC4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1
InChIInChI=1S/C17H17N3O2S/c1-10-5-7-12(8-6-10)15(21)19-16-13(9-18)11(2)14(23-16)17(22)20(3)4/h5-8H,1-4H3,(H,19,21)
InChIKeyYHSUBQQQOVRBMW-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.19
Rot. Bonds3

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

4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide (PubChem CID 841069) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide
PubChem CID841069
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1
InChIInChI=1S/C17H17N3O2S/c1-10-5-7-12(8-6-10)15(21)19-16-13(9-18)11(2)14(23-16)17(22)20(3)4/h5-8H,1-4H3,(H,19,21)
InChIKeyYHSUBQQQOVRBMW-UHFFFAOYSA-N
XLogP3.19
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
CID 766948
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzamide
CID 755421
2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
CID 1442554
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597271
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-fluorobenzamide
CID 579429
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,4-dimethylbenzamide
CID 903093
N-[(3-cyano-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamothioyl]benzamide
CID 1130140
N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3-methylbenzamide
CID 1225299
N-(3-cyano-5-methyl-4-phenylthien-2-yl)cyclohexanecarboxamide
CID 1225338
2-(4-Methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 673603

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide (CID 841069) is 4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1.
What is the InChIKey of 4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide?
The InChIKey is YHSUBQQQOVRBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-5-7-12(8-6-10)15(21)19-16-13(9-18)11(2)14(23-16)17(22)20(3)4/h5-8H,1-4H3,(H,19,21).
What are the key properties of 4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide?
4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,N,3-trimethyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 841069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).