4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C18H21NO3S2 — CID 3837819

IUPAC4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)C2CCCC2)cc1
InChIInChI=1S/C18H21NO3S2/c1-14(20)15-8-10-18(11-9-15)24(21,22)19(16-5-2-3-6-16)13-17-7-4-12-23-17/h4,7-12,16H,2-3,5-6,13H2,1H3
InChIKeyARSDSFYJIOIBOF-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.08
Rot. Bonds6

About 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 3837819) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID3837819
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC Name4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)C2CCCC2)cc1
InChIInChI=1S/C18H21NO3S2/c1-14(20)15-8-10-18(11-9-15)24(21,22)19(16-5-2-3-6-16)13-17-7-4-12-23-17/h4,7-12,16H,2-3,5-6,13H2,1H3
InChIKeyARSDSFYJIOIBOF-UHFFFAOYSA-N
XLogP4.08
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
4-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189952
1-acetyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 55598121
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 60960278
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
N-cyclopentyl-2-methyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935709
N-cyclohexyl-3-methyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20936105
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide
CID 56800917
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
1-N-cyclohexyl-1-N-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 6551564

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 3837819) is 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)C2CCCC2)cc1.
What is the InChIKey of 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ARSDSFYJIOIBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-14(20)15-8-10-18(11-9-15)24(21,22)19(16-5-2-3-6-16)13-17-7-4-12-23-17/h4,7-12,16H,2-3,5-6,13H2,1H3.
What are the key properties of 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 363.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3837819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).