N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide

C18H25N3O4S — CID 51126448

IUPACN-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1C
InChIInChI=1S/C18H25N3O4S/c1-13-12-14(20-10-5-7-17(20)22)8-9-16(13)26(24,25)21-11-4-3-6-15(21)18(23)19-2/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,19,23)
InChIKeyXKPJLZORZDZQEL-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.41
Rot. Bonds4

About N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide

N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide (PubChem CID 51126448) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide
PubChem CID51126448
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1C
InChIInChI=1S/C18H25N3O4S/c1-13-12-14(20-10-5-7-17(20)22)8-9-16(13)26(24,25)21-11-4-3-6-15(21)18(23)19-2/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,19,23)
InChIKeyXKPJLZORZDZQEL-UHFFFAOYSA-N
XLogP1.41
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide 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-chloro-2-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305063
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61112037
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 52508786
1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61113715
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305164
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51126451
N,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47081395
(4-acetamidophenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769081
1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361310
methyl (2R)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836493
1-[4-(bromomethyl)phenyl]sulfonyl-N-methylpiperidine-2-carboxamide
CID 65480615

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide (CID 51126448) is N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1C.
What is the InChIKey of N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide?
The InChIKey is XKPJLZORZDZQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-13-12-14(20-10-5-7-17(20)22)8-9-16(13)26(24,25)21-11-4-3-6-15(21)18(23)19-2/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,19,23).
What are the key properties of N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide?
N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 51126448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).