N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide

C18H16N2O2S — CID 3231706

IUPACN-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C18H16N2O2S/c1-13-10-15(19-17(21)16-8-5-9-23-16)18(22)20(11-13)12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyDUFHQRZVXMWCBR-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.52
Rot. Bonds4

About N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide

N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 3231706) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide
PubChem CID3231706
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C18H16N2O2S/c1-13-10-15(19-17(21)16-8-5-9-23-16)18(22)20(11-13)12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyDUFHQRZVXMWCBR-UHFFFAOYSA-N
XLogP3.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463358
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[1-[(4-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-2-methoxybenzamide
CID 3231731
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18292171
4-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzoic acid
CID 67344551
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 9324132
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)thiophene-2-carboxamide
CID 4552301
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
CID 17131369
N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide
CID 39083117

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide (CID 3231706) is N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccs2)c(=O)n(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is DUFHQRZVXMWCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-13-10-15(19-17(21)16-8-5-9-23-16)18(22)20(11-13)12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide?
N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 3231706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).