[1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C16H25N3O4S — CID 168680933

IUPAC[1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCN(C)CCOc1ccc(CN2CC(CS(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C16H25N3O4S/c1-18(2)7-8-23-15-5-3-13(4-6-15)10-19-11-14(9-16(19)20)12-24(17,21)22/h3-6,14H,7-12H2,1-2H3,(H2,17,21,22)
InChIKeyFHNOGJCWSUXRJP-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.26
Rot. Bonds8

About [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680933) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680933
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name[1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCN(C)CCOc1ccc(CN2CC(CS(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C16H25N3O4S/c1-18(2)7-8-23-15-5-3-13(4-6-15)10-19-11-14(9-16(19)20)12-24(17,21)22/h3-6,14H,7-12H2,1-2H3,(H2,17,21,22)
InChIKeyFHNOGJCWSUXRJP-UHFFFAOYSA-N
XLogP0.26
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-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-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672681
[1-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682061
[5-oxo-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672695
4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one
CID 112514914
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
[5-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681233
[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681781
[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681654
[1-[2-(4-tert-butylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680607
[5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682169
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682163

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680933) is [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is CN(C)CCOc1ccc(CN2CC(CS(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FHNOGJCWSUXRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-18(2)7-8-23-15-5-3-13(4-6-15)10-19-11-14(9-16(19)20)12-24(17,21)22/h3-6,14H,7-12H2,1-2H3,(H2,17,21,22).
What are the key properties of [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).