4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide

C20H22N2O3S — CID 110667633

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCC/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c23-20-10-6-16-22(20)18-11-13-19(14-12-18)26(24,25)21-15-5-4-9-17-7-2-1-3-8-17/h1-4,7-9,11-14,21H,5-6,10,15-16H2/b9-4+
InChIKeyKLQDVMHRJFYVCP-RUDMXATFSA-N
MW370.47 g/mol
LogP3.20
Rot. Bonds7

About 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide (PubChem CID 110667633) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide
PubChem CID110667633
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCC/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c23-20-10-6-16-22(20)18-11-13-19(14-12-18)26(24,25)21-15-5-4-9-17-7-2-1-3-8-17/h1-4,7-9,11-14,21H,5-6,10,15-16H2/b9-4+
InChIKeyKLQDVMHRJFYVCP-RUDMXATFSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502099
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110301295
4-(2-oxopyrrolidin-1-yl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966549
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724
N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92685610
N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 95045248
N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284122
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99599483
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019455

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide (CID 110667633) is 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)NCC/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide?
The InChIKey is KLQDVMHRJFYVCP-RUDMXATFSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20-10-6-16-22(20)18-11-13-19(14-12-18)26(24,25)21-15-5-4-9-17-7-2-1-3-8-17/h1-4,7-9,11-14,21H,5-6,10,15-16H2/b9-4+.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide is sourced from PubChem (CID 110667633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).