4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide

C20H21NO4S3 — CID 41193494

IUPAC4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21NO4S3/c1-15-5-9-17(10-6-15)27(22,23)20(19-4-3-13-26-19)14-21-28(24,25)18-11-7-16(2)8-12-18/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1
InChIKeyGUNPEAVHPZBTRZ-HXUWFJFHSA-N
MW435.59 g/mol
LogP3.86
Rot. Bonds7

About 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide

4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide (PubChem CID 41193494) has the molecular formula C20H21NO4S3 and a molecular weight of 435.59 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
PubChem CID41193494
Molecular FormulaC20H21NO4S3
Molecular Weight435.59 g/mol
Exact Mass435.06
IUPAC Name4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21NO4S3/c1-15-5-9-17(10-6-15)27(22,23)20(19-4-3-13-26-19)14-21-28(24,25)18-11-7-16(2)8-12-18/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1
InChIKeyGUNPEAVHPZBTRZ-HXUWFJFHSA-N
XLogP3.86
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide 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

4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 16829644
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498
4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193508
N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]methanesulfonamide
CID 18574218
2,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193478
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
CID 16829653
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193427
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41193669
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774914
N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide
CID 7280102
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide (CID 41193494) is 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The InChIKey is GUNPEAVHPZBTRZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO4S3/c1-15-5-9-17(10-6-15)27(22,23)20(19-4-3-13-26-19)14-21-28(24,25)18-11-7-16(2)8-12-18/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide has a molecular weight of 435.59 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 41193494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).