N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide

C24H34N4O3S — CID 10072874

IUPACN-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C24H34N4O3S/c1-3-24(29)26-21-7-6-8-22(19-21)28-17-15-27(16-18-28)14-5-4-13-25-32(30,31)23-11-9-20(2)10-12-23/h6-12,19,25H,3-5,13-18H2,1-2H3,(H,26,29)
InChIKeyUDRLQEFDNWYZEN-UHFFFAOYSA-N
MW458.63 g/mol
LogP3.22
Rot. Bonds10

About N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide

N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide (PubChem CID 10072874) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide
PubChem CID10072874
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC NameN-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C24H34N4O3S/c1-3-24(29)26-21-7-6-8-22(19-21)28-17-15-27(16-18-28)14-5-4-13-25-32(30,31)23-11-9-20(2)10-12-23/h6-12,19,25H,3-5,13-18H2,1-2H3,(H,26,29)
InChIKeyUDRLQEFDNWYZEN-UHFFFAOYSA-N
XLogP3.22
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide?
The IUPAC name of N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide (CID 10072874) is N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide is CCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide?
The InChIKey is UDRLQEFDNWYZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-3-24(29)26-21-7-6-8-22(19-21)28-17-15-27(16-18-28)14-5-4-13-25-32(30,31)23-11-9-20(2)10-12-23/h6-12,19,25H,3-5,13-18H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide?
N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide has a molecular weight of 458.63 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 10072874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).