N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide

C19H22N2O4S — CID 16822409

IUPACN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-4-5-16(10-14(13)2)21-12-15(11-19(21)22)20-26(23,24)18-8-6-17(25-3)7-9-18/h4-10,15,20H,11-12H2,1-3H3
InChIKeyYTYBPDDCPMIUNJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.40
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 16822409) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID16822409
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-4-5-16(10-14(13)2)21-12-15(11-19(21)22)20-26(23,24)18-8-6-17(25-3)7-9-18/h4-10,15,20H,11-12H2,1-3H3
InChIKeyYTYBPDDCPMIUNJ-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Act-462206
CID 40924317
1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide
CID 9802180
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
CID 24993852
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 24993853
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2174334
4-(2-{[1-(4-Butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzenesulfonamide
CID 2869088
4-[2-[[1-(4-Hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 3116100
N-(4-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 16422713
N-(2-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585910
3-(3,4-Dimethoxy-benzenesulfonyl)-1-(3,4-dimethyl-phenyl)-imidazolidine-2,4-dione
CID 10431323
2-(2-(2-(4-ethoxy-N-p-tolylphenylsulfonamido)acetyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetamide
CID 11519251

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (CID 16822409) is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is YTYBPDDCPMIUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-4-5-16(10-14(13)2)21-12-15(11-19(21)22)20-26(23,24)18-8-6-17(25-3)7-9-18/h4-10,15,20H,11-12H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.40, 5 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]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16822409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).