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

C22H36N4O3S — CID 10343002

IUPACN-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C22H36N4O3S/c1-19(27)24-20-8-7-9-21(18-20)26-16-14-25(15-17-26)13-6-5-12-23-30(28,29)22-10-3-2-4-11-22/h7-9,18,22-23H,2-6,10-17H2,1H3,(H,24,27)
InChIKeyCDYPPCDOSCBLSH-UHFFFAOYSA-N
MW436.62 g/mol
LogP2.80
Rot. Bonds9

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

N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 10343002) has the molecular formula C22H36N4O3S and a molecular weight of 436.62 g/mol. Its IUPAC name is N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
PubChem CID10343002
Molecular FormulaC22H36N4O3S
Molecular Weight436.62 g/mol
Exact Mass436.25
IUPAC NameN-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C22H36N4O3S/c1-19(27)24-20-8-7-9-21(18-20)26-16-14-25(15-17-26)13-6-5-12-23-30(28,29)22-10-3-2-4-11-22/h7-9,18,22-23H,2-6,10-17H2,1H3,(H,24,27)
InChIKeyCDYPPCDOSCBLSH-UHFFFAOYSA-N
XLogP2.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 52.80
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-(cyclohexylsulfonylamino)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-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide (CID 10343002) is N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)C3CCCCC3)CC2)c1.
What is the InChIKey of N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is CDYPPCDOSCBLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3S/c1-19(27)24-20-8-7-9-21(18-20)26-16-14-25(15-17-26)13-6-5-12-23-30(28,29)22-10-3-2-4-11-22/h7-9,18,22-23H,2-6,10-17H2,1H3,(H,24,27).
What are the key properties of N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 436.62 g/mol, XLogP of 2.80, 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-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 10343002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).