[1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C14H20N2O4S — CID 168680870

IUPAC[1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCOc1ccc(C)cc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C14H20N2O4S/c1-3-20-13-5-4-10(2)6-12(13)16-8-11(7-14(16)17)9-21(15,18)19/h4-6,11H,3,7-9H2,1-2H3,(H2,15,18,19)
InChIKeyQUMJKVIVRIFLLF-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.04
Rot. Bonds5

About [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680870) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680870
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name[1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCOc1ccc(C)cc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C14H20N2O4S/c1-3-20-13-5-4-10(2)6-12(13)16-8-11(7-14(16)17)9-21(15,18)19/h4-6,11H,3,7-9H2,1-2H3,(H2,15,18,19)
InChIKeyQUMJKVIVRIFLLF-UHFFFAOYSA-N
XLogP1.04
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-cyano-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681429
[1-(2,5-diethoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675378
[1-(4-amino-2-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681397
[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681682
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681619
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(2-iodo-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673308
[1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681206
[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681419
[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682427
[1-(2,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673300

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680870) is [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CCOc1ccc(C)cc1N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is QUMJKVIVRIFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-20-13-5-4-10(2)6-12(13)16-8-11(7-14(16)17)9-21(15,18)19/h4-6,11H,3,7-9H2,1-2H3,(H2,15,18,19).
What are the key properties of [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxy-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).