N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide

C17H14FNO2S — CID 66596331

IUPACN-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide
SMILESCOc1cc(C)c(F)cc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C17H14FNO2S/c1-10-7-15(21-2)14(8-13(10)18)19-17(20)12-9-22-16-6-4-3-5-11(12)16/h3-9H,1-2H3,(H,19,20)
InChIKeyBECPPWUEZVMANW-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.61
Rot. Bonds3

About N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide

N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide (PubChem CID 66596331) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide
PubChem CID66596331
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC NameN-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide
SMILESCOc1cc(C)c(F)cc1NC(=O)c1csc2ccccc12
InChIInChI=1S/C17H14FNO2S/c1-10-7-15(21-2)14(8-13(10)18)19-17(20)12-9-22-16-6-4-3-5-11(12)16/h3-9H,1-2H3,(H,19,20)
InChIKeyBECPPWUEZVMANW-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(3-Fluoro-3'-methoxybiphenyl-4-YL)amino]carbonyl}thiophene-2-carboxylic acid
CID 15942657
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44393372
Thiophene-2-carboxylic acid (4-methoxy-biphenyl-3-yl)-amide
CID 1109361
N-{2-[(2-methoxyanilino)carbonyl]phenyl}-2-thiophenecarboxamide
CID 1116978
1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
CID 9842861
1-(Benzo[b]thiophen-3-yl)-3-(4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl)propan-1-one
CID 10572945
N-hydroxy-6-(2-(4-methoxyphenyl)acetamido)benzo[b]thiophene-2-carboxamide
CID 11164133
N-hydroxy-6-[[2-(3-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
CID 11256805
N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 748470
N-{3-methoxy-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 1298832
10-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 1779937

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide (CID 66596331) is N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide is COc1cc(C)c(F)cc1NC(=O)c1csc2ccccc12.
What is the InChIKey of N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is BECPPWUEZVMANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-10-7-15(21-2)14(8-13(10)18)19-17(20)12-9-22-16-6-4-3-5-11(12)16/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide?
N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxy-4-methylphenyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 66596331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).