N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

C15H16N2O3S2 — CID 16822399

IUPACN-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N2CC(NS(=O)(=O)c3cccs3)CC2=O)cc1
InChIInChI=1S/C15H16N2O3S2/c1-11-4-6-13(7-5-11)17-10-12(9-14(17)18)16-22(19,20)15-3-2-8-21-15/h2-8,12,16H,9-10H2,1H3
InChIKeyLFAQSMZJJAVQFG-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.14
Rot. Bonds4

About N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 16822399) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID16822399
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N2CC(NS(=O)(=O)c3cccs3)CC2=O)cc1
InChIInChI=1S/C15H16N2O3S2/c1-11-4-6-13(7-5-11)17-10-12(9-14(17)18)16-22(19,20)15-3-2-8-21-15/h2-8,12,16H,9-10H2,1H3
InChIKeyLFAQSMZJJAVQFG-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-(5-Chlorothiophen-2-Yl)-N-[(3s)-1-{4-[(1s)-1-(Dimethylamino)ethyl]-2-Fluorophenyl}-2-Oxopyrrolidin-3-Yl]ethenesulfonamide
CID 11454249
(E)-2-(5-Chlorothiophen-2-Yl)-N-[(3s)-1-{4-[(1r)-1-(Dimethylamino)ethyl]-2-Fluorophenyl}-2-Oxopyrrolidin-3-Yl]ethenesulfonamide
CID 11178928
(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[4-[1-(dimethylamino)ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 46226325
[(1S)-1-[4-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluorophenyl]ethyl]-dimethylazanium
CID 72199475
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648
(S)-2-(5-chlorothiophen-2-yl)-N-(1-(2-fluoro-4-(prop-1-en-2-yl)phenyl)-2-oxopyrrolidin-3-yl)ethenesulfonamide
CID 46226298
N-(3-Ethylphenyl)-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
CID 15987880
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
2-[(4-methylphenyl)(thien-2-ylsulfonyl)amino]-N-(thien-2-ylmethyl)acetamide
CID 3236370
N~1~-(3-fluoro-4-methylphenyl)-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3238020

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 16822399) is N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is Cc1ccc(N2CC(NS(=O)(=O)c3cccs3)CC2=O)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is LFAQSMZJJAVQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-11-4-6-13(7-5-11)17-10-12(9-14(17)18)16-22(19,20)15-3-2-8-21-15/h2-8,12,16H,9-10H2,1H3.
What are the key properties of N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 16822399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).