3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide

C15H22N2O3S2 — CID 25044457

IUPAC3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCSC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S2/c16-22(19,20)14-8-6-12(7-9-14)17-15(18)10-11-21-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,17,18)(H2,16,19,20)
InChIKeyHMSDRBBFBFHTHX-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.73
Rot. Bonds6

About 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide

3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 25044457) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
PubChem CID25044457
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCSC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O3S2/c16-22(19,20)14-8-6-12(7-9-14)17-15(18)10-11-21-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,17,18)(H2,16,19,20)
InChIKeyHMSDRBBFBFHTHX-UHFFFAOYSA-N
XLogP2.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide 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-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide
CID 23775391
3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 25049673
N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886574
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25038576
2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4821142
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 34502642
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2001735

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide (CID 25044457) is 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCSC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is HMSDRBBFBFHTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c16-22(19,20)14-8-6-12(7-9-14)17-15(18)10-11-21-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,17,18)(H2,16,19,20).
What are the key properties of 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide?
3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 342.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25044457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).