3-chloro-6-methyl-1-benzothiophene-2-carboxamide

C10H8ClNOS — CID 874724

IUPAC3-chloro-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(N)=O)sc2c1
InChIInChI=1S/C10H8ClNOS/c1-5-2-3-6-7(4-5)14-9(8(6)11)10(12)13/h2-4H,1H3,(H2,12,13)
InChIKeyNUIWQDQQDZQXOL-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.96
Rot. Bonds1

About 3-chloro-6-methyl-1-benzothiophene-2-carboxamide

3-chloro-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 874724) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 3-chloro-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID874724
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name3-chloro-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(N)=O)sc2c1
InChIInChI=1S/C10H8ClNOS/c1-5-2-3-6-7(4-5)14-9(8(6)11)10(12)13/h2-4H,1H3,(H2,12,13)
InChIKeyNUIWQDQQDZQXOL-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-methyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-methyl-1-benzothiophene-2-carboxamide (CID 874724) is 3-chloro-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2c(Cl)c(C(N)=O)sc2c1.
What is the InChIKey of 3-chloro-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is NUIWQDQQDZQXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c1-5-2-3-6-7(4-5)14-9(8(6)11)10(12)13/h2-4H,1H3,(H2,12,13).
What are the key properties of 3-chloro-6-methyl-1-benzothiophene-2-carboxamide?
3-chloro-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 225.70 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 874724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).