4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

C24H28N4O4S — CID 19614312

IUPAC4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCCCCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H28N4O4S/c1-2-3-7-16-27(18-22-25-26-24(32-22)19-9-5-4-6-10-19)33(30,31)21-14-12-20(13-15-21)28-17-8-11-23(28)29/h4-6,9-10,12-15H,2-3,7-8,11,16-18H2,1H3
InChIKeyPWWLFUVCXAFYTE-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.24
Rot. Bonds10

About 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 19614312) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID19614312
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCCCCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H28N4O4S/c1-2-3-7-16-27(18-22-25-26-24(32-22)19-9-5-4-6-10-19)33(30,31)21-14-12-20(13-15-21)28-17-8-11-23(28)29/h4-6,9-10,12-15H,2-3,7-8,11,16-18H2,1H3
InChIKeyPWWLFUVCXAFYTE-UHFFFAOYSA-N
XLogP4.24
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide 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

N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244
4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 24511008
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94605999
4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide
CID 31829154
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide
CID 60606661
N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 71768736
1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
CID 736863
N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372439
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738
1-(4-heptanoylphenyl)pyrrolidin-2-one
CID 114752117

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 19614312) is 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is CCCCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is PWWLFUVCXAFYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-2-3-7-16-27(18-22-25-26-24(32-22)19-9-5-4-6-10-19)33(30,31)21-14-12-20(13-15-21)28-17-8-11-23(28)29/h4-6,9-10,12-15H,2-3,7-8,11,16-18H2,1H3.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 468.58 g/mol, XLogP of 4.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 19614312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).