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

C15H16ClNO2S — CID 2878759

IUPAC3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)NCC3CCCO3)sc2c1
InChIInChI=1S/C15H16ClNO2S/c1-9-4-5-11-12(7-9)20-14(13(11)16)15(18)17-8-10-3-2-6-19-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyLAOCYNSMGHHRAH-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.77
Rot. Bonds3

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

3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 2878759) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID2878759
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)NCC3CCCO3)sc2c1
InChIInChI=1S/C15H16ClNO2S/c1-9-4-5-11-12(7-9)20-14(13(11)16)15(18)17-8-10-3-2-6-19-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyLAOCYNSMGHHRAH-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-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

Related Compounds

3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2853923
3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide
CID 903260
3-chloro-N-[2-(morpholin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 678100
3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide
CID 874448
(3-chloro-1-benzothiophen-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889570
(3-chloro-1-benzothiophen-2-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889571
3-chloro-6-fluoro-N-[3-(morpholin-4-yl)propyl]-1-benzothiophene-2-carboxamide
CID 2329891
4-(3-Chloro-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
CID 2938150
3,6-dichloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 3118316
4-(3-Chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
CID 5063276
(2R,6S)-4-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-2,6-dimethylmorpholine
CID 27764428
N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide
CID 2971011

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 2878759) is 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide is Cc1ccc2c(Cl)c(C(=O)NCC3CCCO3)sc2c1.
What is the InChIKey of 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is LAOCYNSMGHHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-9-4-5-11-12(7-9)20-14(13(11)16)15(18)17-8-10-3-2-6-19-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2878759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).