3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide

C16H11Cl2NOS — CID 896642

IUPAC3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)Nc3ccccc3Cl)sc2c1
InChIInChI=1S/C16H11Cl2NOS/c1-9-6-7-10-13(8-9)21-15(14(10)18)16(20)19-12-5-3-2-4-11(12)17/h2-8H,1H3,(H,19,20)
InChIKeyIEQAOEFCPPAWNP-UHFFFAOYSA-N
MW336.24 g/mol
LogP5.77
Rot. Bonds2

About 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide

3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 896642) has the molecular formula C16H11Cl2NOS and a molecular weight of 336.24 g/mol. Its IUPAC name is 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID896642
Molecular FormulaC16H11Cl2NOS
Molecular Weight336.24 g/mol
Exact Mass334.99
IUPAC Name3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)Nc3ccccc3Cl)sc2c1
InChIInChI=1S/C16H11Cl2NOS/c1-9-6-7-10-13(8-9)21-15(14(10)18)16(20)19-12-5-3-2-4-11(12)17/h2-8H,1H3,(H,19,20)
InChIKeyIEQAOEFCPPAWNP-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.24
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
3-chloro-6-methyl-N-(4-phenyldiazenylphenyl)-1-benzothiophene-2-carboxamide
CID 3465237
3-chloro-6-fluoro-N-(2-hydroxy-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16573611
3-chloro-N-(2,6-diethylphenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 4582019
3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16546479
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 91687360
3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 2165647
3-chloro-6-methyl-N-(4H-triazol-5-yl)-1-benzothiophene-2-carboxamide
CID 58190066
3-chloro-N-[4-(diethylamino)phenyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 4093726
3-chloro-6-methyl-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 2932756
3-chloro-6-methyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide
CID 17013549

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide (CID 896642) is 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3Cl)sc2c1.
What is the InChIKey of 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is IEQAOEFCPPAWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NOS/c1-9-6-7-10-13(8-9)21-15(14(10)18)16(20)19-12-5-3-2-4-11(12)17/h2-8H,1H3,(H,19,20).
What are the key properties of 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 336.24 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 896642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).