N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide

C22H29FN4O3S — CID 10253106

IUPACN-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H29FN4O3S/c1-18(28)25-20-5-4-6-21(17-20)27-15-13-26(14-16-27)12-3-2-11-24-31(29,30)22-9-7-19(23)8-10-22/h4-10,17,24H,2-3,11-16H2,1H3,(H,25,28)
InChIKeyXTYRATUPWPIEHA-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.66
Rot. Bonds9

About N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide

N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 10253106) has the molecular formula C22H29FN4O3S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
PubChem CID10253106
Molecular FormulaC22H29FN4O3S
Molecular Weight448.56 g/mol
Exact Mass448.19
IUPAC NameN-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H29FN4O3S/c1-18(28)25-20-5-4-6-21(17-20)27-15-13-26(14-16-27)12-3-2-11-24-31(29,30)22-9-7-19(23)8-10-22/h4-10,17,24H,2-3,11-16H2,1H3,(H,25,28)
InChIKeyXTYRATUPWPIEHA-UHFFFAOYSA-N
XLogP2.66
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.66
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-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide 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-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide (CID 10253106) is N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is XTYRATUPWPIEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3S/c1-18(28)25-20-5-4-6-21(17-20)27-15-13-26(14-16-27)12-3-2-11-24-31(29,30)22-9-7-19(23)8-10-22/h4-10,17,24H,2-3,11-16H2,1H3,(H,25,28).
What are the key properties of N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 448.56 g/mol, XLogP of 2.66, 9 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-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 10253106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).