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

C16H18N2O4S2 — CID 7255810

IUPACN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCCOc1ccc(N2C[C@H](NS(=O)(=O)c3cccs3)CC2=O)cc1
InChIInChI=1S/C16H18N2O4S2/c1-2-22-14-7-5-13(6-8-14)18-11-12(10-15(18)19)17-24(20,21)16-4-3-9-23-16/h3-9,12,17H,2,10-11H2,1H3/t12-/m1/s1
InChIKeyOXCSHVXOMWWYCR-GFCCVEGCSA-N
MW366.46 g/mol
LogP2.23
Rot. Bonds6

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

N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 7255810) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID7255810
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCCOc1ccc(N2C[C@H](NS(=O)(=O)c3cccs3)CC2=O)cc1
InChIInChI=1S/C16H18N2O4S2/c1-2-22-14-7-5-13(6-8-14)18-11-12(10-15(18)19)17-24(20,21)16-4-3-9-23-16/h3-9,12,17H,2,10-11H2,1H3/t12-/m1/s1
InChIKeyOXCSHVXOMWWYCR-GFCCVEGCSA-N
XLogP2.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 16829587
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255328
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 42595762
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 16919630
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 7255810) is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is CCOc1ccc(N2C[C@H](NS(=O)(=O)c3cccs3)CC2=O)cc1.
What is the InChIKey of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is OXCSHVXOMWWYCR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-2-22-14-7-5-13(6-8-14)18-11-12(10-15(18)19)17-24(20,21)16-4-3-9-23-16/h3-9,12,17H,2,10-11H2,1H3/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 7255810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).