N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide

C20H29NO2S — CID 101421693

IUPACN-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide
SMILESC=CCCC1(NS(=O)(=O)c2ccc(C)cc2)CCC=C1CCCC
InChIInChI=1S/C20H29NO2S/c1-4-6-9-18-10-8-16-20(18,15-7-5-2)21-24(22,23)19-13-11-17(3)12-14-19/h5,10-14,21H,2,4,6-9,15-16H2,1,3H3
InChIKeyGSIHFHDCMAFEFA-UHFFFAOYSA-N
MW347.52 g/mol
LogP4.89
Rot. Bonds9

About N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide

N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide (PubChem CID 101421693) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide
PubChem CID101421693
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC NameN-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide
SMILESC=CCCC1(NS(=O)(=O)c2ccc(C)cc2)CCC=C1CCCC
InChIInChI=1S/C20H29NO2S/c1-4-6-9-18-10-8-16-20(18,15-7-5-2)21-24(22,23)19-13-11-17(3)12-14-19/h5,10-14,21H,2,4,6-9,15-16H2,1,3H3
InChIKeyGSIHFHDCMAFEFA-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide (CID 101421693) is N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide is C=CCCC1(NS(=O)(=O)c2ccc(C)cc2)CCC=C1CCCC.
What is the InChIKey of N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide?
The InChIKey is GSIHFHDCMAFEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c1-4-6-9-18-10-8-16-20(18,15-7-5-2)21-24(22,23)19-13-11-17(3)12-14-19/h5,10-14,21H,2,4,6-9,15-16H2,1,3H3.
What are the key properties of N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide?
N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide has a molecular weight of 347.52 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 101421693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).