1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

C22H33N3O4S — CID 17082673

IUPAC1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)CC1=O
InChIInChI=1S/C22H33N3O4S/c1-3-5-13-24-16-17(15-21(24)26)22(27)23-18-9-11-20(12-10-18)30(28,29)25-14-7-6-8-19(25)4-2/h9-12,17,19H,3-8,13-16H2,1-2H3,(H,23,27)
InChIKeyNWPPCPUAKVZVBJ-UHFFFAOYSA-N
MW435.59 g/mol
LogP3.23
Rot. Bonds8

About 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082673) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17082673
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC Name1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)CC1=O
InChIInChI=1S/C22H33N3O4S/c1-3-5-13-24-16-17(15-21(24)26)22(27)23-18-9-11-20(12-10-18)30(28,29)25-14-7-6-8-19(25)4-2/h9-12,17,19H,3-8,13-16H2,1-2H3,(H,23,27)
InChIKeyNWPPCPUAKVZVBJ-UHFFFAOYSA-N
XLogP3.23
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-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-tert-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 6497373
1-butyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17082688
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080793
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
1-(3-chloro-4-methylphenyl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17080992
1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17082636
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153499
1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 17082673) is 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)CC1=O.
What is the InChIKey of 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NWPPCPUAKVZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-3-5-13-24-16-17(15-21(24)26)22(27)23-18-9-11-20(12-10-18)30(28,29)25-14-7-6-8-19(25)4-2/h9-12,17,19H,3-8,13-16H2,1-2H3,(H,23,27).
What are the key properties of 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).