N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

C15H16FNOS — CID 26721964

IUPACN-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)sc2cccc(F)c12
InChIInChI=1S/C15H16FNOS/c1-9-13-11(16)7-4-8-12(13)19-14(9)15(18)17-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyQCPSGBUGSDJDKL-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.02
Rot. Bonds2

About N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide

N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 26721964) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID26721964
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC NameN-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)sc2cccc(F)c12
InChIInChI=1S/C15H16FNOS/c1-9-13-11(16)7-4-8-12(13)19-14(9)15(18)17-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyQCPSGBUGSDJDKL-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062074
4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 62490061
N-[(6R)-1,4-dioxaspiro[4.5]decan-6-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 97067297
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 124591472
N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 24535401
3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 79511694
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8819787
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 33141822
3-amino-4-fluoro-N-(2-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79517182
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55715502

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide (CID 26721964) is N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC2CCCC2)sc2cccc(F)c12.
What is the InChIKey of N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is QCPSGBUGSDJDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-9-13-11(16)7-4-8-12(13)19-14(9)15(18)17-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26721964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).