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

C16H18N2O3S2 — CID 16822412

IUPACN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N2CC(NS(=O)(=O)c3cccs3)CC2=O)cc1C
InChIInChI=1S/C16H18N2O3S2/c1-11-5-6-14(8-12(11)2)18-10-13(9-15(18)19)17-23(20,21)16-4-3-7-22-16/h3-8,13,17H,9-10H2,1-2H3
InChIKeyARUDGBNPKYWQQH-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.45
Rot. Bonds4

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

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 16822412) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID16822412
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N2CC(NS(=O)(=O)c3cccs3)CC2=O)cc1C
InChIInChI=1S/C16H18N2O3S2/c1-11-5-6-14(8-12(11)2)18-10-13(9-15(18)19)17-23(20,21)16-4-3-7-22-16/h3-8,13,17H,9-10H2,1-2H3
InChIKeyARUDGBNPKYWQQH-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.45
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
(S)-2-(5-chlorothiophen-2-yl)-N-(2-oxo-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrrolidin-3-yl)ethenesulfonamide
CID 11950081
(S)-2-(5-chlorothiophen-2-yl)-N-(1-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl)ethenesulfonamide
CID 11950249
(S)-2-(5-chlorothiophen-2-yl)-N-(1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl)ethenesulfonamide
CID 11950432
(S,E)-2-(5-chlorothiophen-2-yl)-N-(2-oxo-1-(2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yl)pyrrolidin-3-yl)ethenesulfonamide
CID 16112849
(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-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4290749
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 16822412) is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is Cc1ccc(N2CC(NS(=O)(=O)c3cccs3)CC2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is ARUDGBNPKYWQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-11-5-6-14(8-12(11)2)18-10-13(9-15(18)19)17-23(20,21)16-4-3-7-22-16/h3-8,13,17H,9-10H2,1-2H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 350.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 16822412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).