N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H18N2O2S — CID 42897681

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)C2Cc3ccccc3S2)c(=O)[nH]1
InChIInChI=1S/C17H18N2O2S/c1-10-7-11(2)19-16(20)13(10)9-18-17(21)15-8-12-5-3-4-6-14(12)22-15/h3-7,15H,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySHRBXJYSXDSDGG-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.32
Rot. Bonds3

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42897681) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42897681
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)C2Cc3ccccc3S2)c(=O)[nH]1
InChIInChI=1S/C17H18N2O2S/c1-10-7-11(2)19-16(20)13(10)9-18-17(21)15-8-12-5-3-4-6-14(12)22-15/h3-7,15H,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySHRBXJYSXDSDGG-UHFFFAOYSA-N
XLogP2.32
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-{2-[(2-methylphenyl)thio]ethyl}-3-phenylpropanamide
CID 2216480
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931370
6-[2-(2-Methylsulfanylphenyl)acetyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
CID 172908545
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18134929
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18136451
N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18137473
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18138195
(2S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 30125223
(2S)-N-[(1S)-1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 30125225
(2R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 30125227
(2R)-N-[(1S)-1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 30125228
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 56175659

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42897681) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1cc(C)c(CNC(=O)C2Cc3ccccc3S2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is SHRBXJYSXDSDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-10-7-11(2)19-16(20)13(10)9-18-17(21)15-8-12-5-3-4-6-14(12)22-15/h3-7,15H,8-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42897681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).