N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

C21H34N2O4S — CID 56994837

IUPACN-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(O)CCCNCCC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C21H34N2O4S/c1-28(26,27)23-19-11-9-18(10-12-19)21(25)7-4-15-22-16-14-20(24)13-8-17-5-2-3-6-17/h9-12,17,21-23,25H,2-8,13-16H2,1H3
InChIKeyUIHADAJEMAJTFR-UHFFFAOYSA-N
MW410.58 g/mol
LogP3.39
Rot. Bonds13

About N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide (PubChem CID 56994837) has the molecular formula C21H34N2O4S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
PubChem CID56994837
Molecular FormulaC21H34N2O4S
Molecular Weight410.58 g/mol
Exact Mass410.22
IUPAC NameN-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(O)CCCNCCC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C21H34N2O4S/c1-28(26,27)23-19-11-9-18(10-12-19)21(25)7-4-15-22-16-14-20(24)13-8-17-5-2-3-6-17/h9-12,17,21-23,25H,2-8,13-16H2,1H3
InChIKeyUIHADAJEMAJTFR-UHFFFAOYSA-N
XLogP3.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide 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-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide (CID 56994837) is N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(O)CCCNCCC(=O)CCC2CCCC2)cc1.
What is the InChIKey of N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
The InChIKey is UIHADAJEMAJTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4S/c1-28(26,27)23-19-11-9-18(10-12-19)21(25)7-4-15-22-16-14-20(24)13-8-17-5-2-3-6-17/h9-12,17,21-23,25H,2-8,13-16H2,1H3.
What are the key properties of N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide has a molecular weight of 410.58 g/mol, XLogP of 3.39, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide is sourced from PubChem (CID 56994837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).