N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide

C14H18N2O4S — CID 91911271

IUPACN-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCOc1ccc(N2CCC(NS(=O)(=O)C3CC3)C2=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-20-11-4-2-10(3-5-11)16-9-8-13(14(16)17)15-21(18,19)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3
InChIKeyLOGHYLODZQACNU-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.88
Rot. Bonds5

About N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide

N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide (PubChem CID 91911271) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide
PubChem CID91911271
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCOc1ccc(N2CCC(NS(=O)(=O)C3CC3)C2=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-20-11-4-2-10(3-5-11)16-9-8-13(14(16)17)15-21(18,19)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3
InChIKeyLOGHYLODZQACNU-UHFFFAOYSA-N
XLogP0.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 53166772
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838498
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 71838519
3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 54973368
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838569
N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863344
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide
CID 166406195
2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 142761083

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide (CID 91911271) is N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide is COc1ccc(N2CCC(NS(=O)(=O)C3CC3)C2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide?
The InChIKey is LOGHYLODZQACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-20-11-4-2-10(3-5-11)16-9-8-13(14(16)17)15-21(18,19)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3.
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide?
N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 91911271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).