3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide

C16H11Cl2NO2S — CID 980362

IUPAC3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C16H11Cl2NO2S/c1-21-11-7-3-2-6-10(11)19-16(20)15-14(18)13-9(17)5-4-8-12(13)22-15/h2-8H,1H3,(H,19,20)
InChIKeySPGLWMHHVGCOAB-UHFFFAOYSA-N
MW352.24 g/mol
LogP5.47
Rot. Bonds3

About 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide

3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 980362) has the molecular formula C16H11Cl2NO2S and a molecular weight of 352.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID980362
Molecular FormulaC16H11Cl2NO2S
Molecular Weight352.24 g/mol
Exact Mass350.99
IUPAC Name3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C16H11Cl2NO2S/c1-21-11-7-3-2-6-10(11)19-16(20)15-14(18)13-9(17)5-4-8-12(13)22-15/h2-8H,1H3,(H,19,20)
InChIKeySPGLWMHHVGCOAB-UHFFFAOYSA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.24
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide
CID 18376970
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide
CID 18377031
3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 678908
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide
CID 1092658
N-(4-{[(2,4-dichlorophenyl)carbonyl]amino}-2-methoxyphenyl)thiophene-2-carboxamide
CID 3161504
3,6-dichloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
CID 3711670
3,6-dichloro-N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
CID 4327745
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 9118903
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 11730189
3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 15988646
3-chloro-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 16349964

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide (CID 980362) is 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide is COc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is SPGLWMHHVGCOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2S/c1-21-11-7-3-2-6-10(11)19-16(20)15-14(18)13-9(17)5-4-8-12(13)22-15/h2-8H,1H3,(H,19,20).
What are the key properties of 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 352.24 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 980362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).