N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

C15H14FNOS — CID 597007

IUPACN-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1scc2c1CCCC2
InChIInChI=1S/C15H14FNOS/c16-11-5-7-12(8-6-11)17-15(18)14-13-4-2-1-3-10(13)9-19-14/h5-9H,1-4H2,(H,17,18)
InChIKeyVCWFDFBVSUUFNH-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.02
Rot. Bonds2

About N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 597007) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID597007
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1scc2c1CCCC2
InChIInChI=1S/C15H14FNOS/c16-11-5-7-12(8-6-11)17-15(18)14-13-4-2-1-3-10(13)9-19-14/h5-9H,1-4H2,(H,17,18)
InChIKeyVCWFDFBVSUUFNH-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 ≤ 500275.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-nitrophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 3982635
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 166384186
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-(4-fluorophenyl)-4-formamidobenzamide
CID 168651892
N-(4-fluorophenyl)-4-methoxy-6,7,8,9-tetrahydrodibenzofuran-1-carboxamide
CID 10427298
N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751902
4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoic acid
CID 1225770
2-[(4-fluorobenzoyl)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1369520
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(4-fluorophenyl)-3,5-dihydroxybenzamide
CID 103891338

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 597007) is N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is O=C(Nc1ccc(F)cc1)c1scc2c1CCCC2.
What is the InChIKey of N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is VCWFDFBVSUUFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-11-5-7-12(8-6-11)17-15(18)14-13-4-2-1-3-10(13)9-19-14/h5-9H,1-4H2,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 275.35 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-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 597007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).