N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide

C19H27NO2S — CID 134998517

IUPACN-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESC=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1c1ccccc1
InChIInChI=1S/C19H27NO2S/c1-5-6-14-19(20-23(21,22)18(2,3)4)15-10-13-17(19)16-11-8-7-9-12-16/h5,7-9,11-13,20H,1,6,10,14-15H2,2-4H3
InChIKeyQYGWOKPNOKXJBA-UHFFFAOYSA-N
MW333.50 g/mol
LogP4.29
Rot. Bonds6

About N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide

N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide (PubChem CID 134998517) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
PubChem CID134998517
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC NameN-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESC=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1c1ccccc1
InChIInChI=1S/C19H27NO2S/c1-5-6-14-19(20-23(21,22)18(2,3)4)15-10-13-17(19)16-11-8-7-9-12-16/h5,7-9,11-13,20H,1,6,10,14-15H2,2-4H3
InChIKeyQYGWOKPNOKXJBA-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
CID 10199241
N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide
CID 2915412
cis-[(Methylethyl)sulfonyl](2-phenylcyclopentyl)amine
CID 11119059
1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 2963215
(+,-) Trans-propane-2-sulfonic Acid (2-phenyl-cyclopentyl)-amide
CID 10956500
N-[(1S,2S)-2-phenylcyclopentyl]propane-2-sulfonamide
CID 11747568
(R)-N-(2-phenylpropyl)propane-2-sulfonamide
CID 21893415
N-(1-phenylethyl)ethanesulfonamide
CID 2932389
Benzenesulfonamide, 4-methyl-N-(1-(phenylmethyl)cyclopentyl)-
CID 218221
N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide
CID 44592829

Frequently Asked Questions

What is the IUPAC name of N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide (CID 134998517) is N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide is C=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1c1ccccc1.
What is the InChIKey of N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is QYGWOKPNOKXJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-5-6-14-19(20-23(21,22)18(2,3)4)15-10-13-17(19)16-11-8-7-9-12-16/h5,7-9,11-13,20H,1,6,10,14-15H2,2-4H3.
What are the key properties of N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
N-(1-but-3-enyl-2-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 333.50 g/mol, XLogP of 4.29, 6 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-phenylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 134998517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).