3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide

C18H16ClNO2S — CID 714239

IUPAC3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide
SMILESCCN(C(=O)c1sc2cc(OC)ccc2c1Cl)c1ccccc1
InChIInChI=1S/C18H16ClNO2S/c1-3-20(12-7-5-4-6-8-12)18(21)17-16(19)14-10-9-13(22-2)11-15(14)23-17/h4-11H,3H2,1-2H3
InChIKeyTZGVLICMLCACTO-UHFFFAOYSA-N
MW345.85 g/mol
LogP5.23
Rot. Bonds4

About 3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide

3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 714239) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID714239
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC Name3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide
SMILESCCN(C(=O)c1sc2cc(OC)ccc2c1Cl)c1ccccc1
InChIInChI=1S/C18H16ClNO2S/c1-3-20(12-7-5-4-6-8-12)18(21)17-16(19)14-10-9-13(22-2)11-15(14)23-17/h4-11H,3H2,1-2H3
InChIKeyTZGVLICMLCACTO-UHFFFAOYSA-N
XLogP5.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.85
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-ethyl-6-methoxy-N-phenyl-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-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide (CID 714239) is 3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide is CCN(C(=O)c1sc2cc(OC)ccc2c1Cl)c1ccccc1.
What is the InChIKey of 3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is TZGVLICMLCACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c1-3-20(12-7-5-4-6-8-12)18(21)17-16(19)14-10-9-13(22-2)11-15(14)23-17/h4-11H,3H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide?
3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 345.85 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 714239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).