N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide

C16H12ClNOS — CID 21315883

IUPACN-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc(Cl)cc2)sc2ccccc12
InChIInChI=1S/C16H12ClNOS/c1-10(19)18-15-13-4-2-3-5-14(13)20-16(15)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,18,19)
InChIKeyGFPHNWHDCLZNCM-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.18
Rot. Bonds2

About N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide

N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide (PubChem CID 21315883) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide
PubChem CID21315883
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC NameN-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc(Cl)cc2)sc2ccccc12
InChIInChI=1S/C16H12ClNOS/c1-10(19)18-15-13-4-2-3-5-14(13)20-16(15)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,18,19)
InChIKeyGFPHNWHDCLZNCM-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide 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 N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide (CID 21315883) is N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide is CC(=O)Nc1c(-c2ccc(Cl)cc2)sc2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide?
The InChIKey is GFPHNWHDCLZNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-10(19)18-15-13-4-2-3-5-14(13)20-16(15)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide?
N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide has a molecular weight of 301.80 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-benzothiophen-3-yl]acetamide is sourced from PubChem (CID 21315883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).