3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide

C25H33N5O4S — CID 46333538

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN3CCCC3=O)ccc2N2CCNCC2)cc1
InChIInChI=1S/C25H33N5O4S/c1-19-5-8-21(9-6-19)35(33,34)28-22-18-20(7-10-23(22)29-16-12-26-13-17-29)25(32)27-11-3-15-30-14-2-4-24(30)31/h5-10,18,26,28H,2-4,11-17H2,1H3,(H,27,32)
InChIKeyBISGVEFHVJSBLS-UHFFFAOYSA-N
MW499.64 g/mol
LogP1.95
Rot. Bonds9

About 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide

3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide (PubChem CID 46333538) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide
PubChem CID46333538
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN3CCCC3=O)ccc2N2CCNCC2)cc1
InChIInChI=1S/C25H33N5O4S/c1-19-5-8-21(9-6-19)35(33,34)28-22-18-20(7-10-23(22)29-16-12-26-13-17-29)25(32)27-11-3-15-30-14-2-4-24(30)31/h5-10,18,26,28H,2-4,11-17H2,1H3,(H,27,32)
InChIKeyBISGVEFHVJSBLS-UHFFFAOYSA-N
XLogP1.95
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide 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-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872260
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
N-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059297
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333292
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059410
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333780
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333723
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
3-amino-4-[3-(4-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 89389650
4-(4-methylpiperazin-1-yl)-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71234571
3-[(3-chloro-4-methylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059433
3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059425

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide (CID 46333538) is 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN3CCCC3=O)ccc2N2CCNCC2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide?
The InChIKey is BISGVEFHVJSBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-19-5-8-21(9-6-19)35(33,34)28-22-18-20(7-10-23(22)29-16-12-26-13-17-29)25(32)27-11-3-15-30-14-2-4-24(30)31/h5-10,18,26,28H,2-4,11-17H2,1H3,(H,27,32).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide?
3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide has a molecular weight of 499.64 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 46333538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).