3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

C17H14ClN3O2S — CID 24983145

IUPAC3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)n1
InChIInChI=1S/C17H14ClN3O2S/c1-10-5-4-8-13(20-10)21-14(22)9-19-17(23)16-15(18)11-6-2-3-7-12(11)24-16/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyGPKBOONKBCOFGM-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.63
Rot. Bonds4

About 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 24983145) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID24983145
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)n1
InChIInChI=1S/C17H14ClN3O2S/c1-10-5-4-8-13(20-10)21-14(22)9-19-17(23)16-15(18)11-6-2-3-7-12(11)24-16/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyGPKBOONKBCOFGM-UHFFFAOYSA-N
XLogP3.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-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-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 24983145) is 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is Cc1cccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)n1.
What is the InChIKey of 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GPKBOONKBCOFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-10-5-4-8-13(20-10)21-14(22)9-19-17(23)16-15(18)11-6-2-3-7-12(11)24-16/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24983145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).