N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide

C20H21NO4S3 — CID 41193427

IUPACN-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H21NO4S3/c1-15-10-11-16(2)19(13-15)28(24,25)21-14-20(18-9-6-12-26-18)27(22,23)17-7-4-3-5-8-17/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1
InChIKeyMPVXJSQXDFUZIX-HXUWFJFHSA-N
MW435.59 g/mol
LogP3.86
Rot. Bonds7

About N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide

N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 41193427) has the molecular formula C20H21NO4S3 and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID41193427
Molecular FormulaC20H21NO4S3
Molecular Weight435.59 g/mol
Exact Mass435.06
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H21NO4S3/c1-15-10-11-16(2)19(13-15)28(24,25)21-14-20(18-9-6-12-26-18)27(22,23)17-7-4-3-5-8-17/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1
InChIKeyMPVXJSQXDFUZIX-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

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Related Compounds

4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
2,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193478
N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide
CID 7280102
N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]methanesulfonamide
CID 18574218
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
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41193669
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193242
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-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193593
1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
CID 9168430

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide (CID 41193427) is N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is MPVXJSQXDFUZIX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21NO4S3/c1-15-10-11-16(2)19(13-15)28(24,25)21-14-20(18-9-6-12-26-18)27(22,23)17-7-4-3-5-8-17/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide?
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide 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 N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 41193427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).