N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide

C15H30N2O3S — CID 108573890

IUPACN-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide
SMILESCCCCS(=O)(=O)NCCNC(=O)CCC1CCCCC1
InChIInChI=1S/C15H30N2O3S/c1-2-3-13-21(19,20)17-12-11-16-15(18)10-9-14-7-5-4-6-8-14/h14,17H,2-13H2,1H3,(H,16,18)
InChIKeyIUHZHHDHRVCDLY-UHFFFAOYSA-N
MW318.48 g/mol
LogP2.18
Rot. Bonds10

About N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide

N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide (PubChem CID 108573890) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide
PubChem CID108573890
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide
SMILESCCCCS(=O)(=O)NCCNC(=O)CCC1CCCCC1
InChIInChI=1S/C15H30N2O3S/c1-2-3-13-21(19,20)17-12-11-16-15(18)10-9-14-7-5-4-6-8-14/h14,17H,2-13H2,1H3,(H,16,18)
InChIKeyIUHZHHDHRVCDLY-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide 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

3-cyclohexyl-N-undecylpropanamide
CID 5146202
3-cyclopentyl-N-[2-(propylamino)ethyl]propanamide
CID 62658625
3-cyclohexyl-N-(3-sulfamoylpropyl)propanamide
CID 47337120
N-[2-(butylsulfonylamino)ethyl]cyclopropanecarboxamide
CID 108573610
N-(2-cyclopentylethyl)propane-1-sulfonamide
CID 61383726
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
2-cyclopentyl-N-propylethanesulfonamide
CID 91196962
3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573891
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
3-cyclohexyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573893
3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593625
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566173

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide (CID 108573890) is N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide is CCCCS(=O)(=O)NCCNC(=O)CCC1CCCCC1.
What is the InChIKey of N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide?
The InChIKey is IUHZHHDHRVCDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-2-3-13-21(19,20)17-12-11-16-15(18)10-9-14-7-5-4-6-8-14/h14,17H,2-13H2,1H3,(H,16,18).
What are the key properties of N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide?
N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide has a molecular weight of 318.48 g/mol, XLogP of 2.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 108573890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).