4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide

C15H15FN2O2S — CID 62490061

IUPAC4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(=O)NC2)sc2cccc(F)c12
InChIInChI=1S/C15H15FN2O2S/c1-8-13-10(16)3-2-4-11(13)21-14(8)15(20)18-9-5-6-12(19)17-7-9/h2-4,9H,5-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyJIGWQBTXYYGXEV-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.36
Rot. Bonds2

About 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 62490061) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID62490061
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(=O)NC2)sc2cccc(F)c12
InChIInChI=1S/C15H15FN2O2S/c1-8-13-10(16)3-2-4-11(13)21-14(8)15(20)18-9-5-6-12(19)17-7-9/h2-4,9H,5-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyJIGWQBTXYYGXEV-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 24535401
2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340
4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 124591472
3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 107932373
3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 79511694
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
4-fluoro-3-(methoxymethyl)-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119450232
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
2-hydroxy-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63373409
2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62898689

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide (CID 62490061) is 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC2CCC(=O)NC2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is JIGWQBTXYYGXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-8-13-10(16)3-2-4-11(13)21-14(8)15(20)18-9-5-6-12(19)17-7-9/h2-4,9H,5-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 62490061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).