[1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone

C20H14ClNOS — CID 1291961

IUPAC[1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C20H14ClNOS/c21-17-8-3-1-6-14(17)12-22-13-16(15-7-2-4-9-18(15)22)20(23)19-10-5-11-24-19/h1-11,13H,12H2
InChIKeyRBZNUIOHHPQCFD-UHFFFAOYSA-N
MW351.86 g/mol
LogP5.64
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone

[1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone (PubChem CID 1291961) has the molecular formula C20H14ClNOS and a molecular weight of 351.86 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone
PubChem CID1291961
Molecular FormulaC20H14ClNOS
Molecular Weight351.86 g/mol
Exact Mass351.05
IUPAC Name[1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C20H14ClNOS/c21-17-8-3-1-6-14(17)12-22-13-16(15-7-2-4-9-18(15)22)20(23)19-10-5-11-24-19/h1-11,13H,12H2
InChIKeyRBZNUIOHHPQCFD-UHFFFAOYSA-N
XLogP5.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone 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 [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone (CID 1291961) is [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cn(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone?
The InChIKey is RBZNUIOHHPQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNOS/c21-17-8-3-1-6-14(17)12-22-13-16(15-7-2-4-9-18(15)22)20(23)19-10-5-11-24-19/h1-11,13H,12H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone?
[1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone has a molecular weight of 351.86 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]indol-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1291961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).