3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide

C18H15Cl2NO2S — CID 9042872

IUPAC3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3cccc(C)c3C)sc2c1Cl
InChIInChI=1S/C18H15Cl2NO2S/c1-9-5-4-6-12(10(9)2)21-18(22)17-14(19)11-7-8-13(23-3)15(20)16(11)24-17/h4-8H,1-3H3,(H,21,22)
InChIKeyFGOFOLPDBOKGAS-UHFFFAOYSA-N
MW380.30 g/mol
LogP6.09
Rot. Bonds3

About 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide

3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 9042872) has the molecular formula C18H15Cl2NO2S and a molecular weight of 380.30 g/mol. Its IUPAC name is 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID9042872
Molecular FormulaC18H15Cl2NO2S
Molecular Weight380.30 g/mol
Exact Mass379.02
IUPAC Name3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3cccc(C)c3C)sc2c1Cl
InChIInChI=1S/C18H15Cl2NO2S/c1-9-5-4-6-12(10(9)2)21-18(22)17-14(19)11-7-8-13(23-3)15(20)16(11)24-17/h4-8H,1-3H3,(H,21,22)
InChIKeyFGOFOLPDBOKGAS-UHFFFAOYSA-N
XLogP6.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.30
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 4830286
3,7-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 1246927
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 16792404
6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 988675
2-N-(2,3-dimethylphenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092159
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
N-(2,3-dimethylphenyl)-5-methylthiophene-2-carboxamide
CID 7733041
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide (CID 9042872) is 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2c(Cl)c(C(=O)Nc3cccc(C)c3C)sc2c1Cl.
What is the InChIKey of 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is FGOFOLPDBOKGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2S/c1-9-5-4-6-12(10(9)2)21-18(22)17-14(19)11-7-8-13(23-3)15(20)16(11)24-17/h4-8H,1-3H3,(H,21,22).
What are the key properties of 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide?
3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 380.30 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9042872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).