3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide

C20H19NO5S3 — CID 21362869

IUPAC3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide
SMILESCS(=O)(=O)c1cccc(-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H19NO5S3/c1-28(23,24)17-8-4-7-16(14-17)18-9-3-2-6-15(18)11-12-19(22)21-29(25,26)20-10-5-13-27-20/h2-10,13-14H,11-12H2,1H3,(H,21,22)
InChIKeyGSBVMQHIHUNHCO-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.26
Rot. Bonds7

About 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide

3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide (PubChem CID 21362869) has the molecular formula C20H19NO5S3 and a molecular weight of 449.58 g/mol. Its IUPAC name is 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide
PubChem CID21362869
Molecular FormulaC20H19NO5S3
Molecular Weight449.58 g/mol
Exact Mass449.04
IUPAC Name3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide
SMILESCS(=O)(=O)c1cccc(-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H19NO5S3/c1-28(23,24)17-8-4-7-16(14-17)18-9-3-2-6-15(18)11-12-19(22)21-29(25,26)20-10-5-13-27-20/h2-10,13-14H,11-12H2,1H3,(H,21,22)
InChIKeyGSBVMQHIHUNHCO-UHFFFAOYSA-N
XLogP3.26
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide 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-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide (CID 21362869) is 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide is CS(=O)(=O)c1cccc(-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide?
The InChIKey is GSBVMQHIHUNHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S3/c1-28(23,24)17-8-4-7-16(14-17)18-9-3-2-6-15(18)11-12-19(22)21-29(25,26)20-10-5-13-27-20/h2-10,13-14H,11-12H2,1H3,(H,21,22).
What are the key properties of 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide?
3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide has a molecular weight of 449.58 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylsulfonylphenyl)phenyl]-N-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 21362869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).