3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide

C16H24N2O3S — CID 2431253

IUPAC3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c17-22(20,21)15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8,11-12H2,(H,18,19)(H2,17,20,21)
InChIKeyMJWBBCSJLXEKAZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.31
Rot. Bonds6

About 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide

3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 2431253) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID2431253
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c17-22(20,21)15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8,11-12H2,(H,18,19)(H2,17,20,21)
InChIKeyMJWBBCSJLXEKAZ-UHFFFAOYSA-N
XLogP2.31
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43094957
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3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
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N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
CID 107233470
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
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3-cyclopentyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 8895164
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
CID 73253877
4-cyclohexyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24560673
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
5-[(3R)-dithiolan-3-yl]-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 97424666
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 2431253) is 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is MJWBBCSJLXEKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c17-22(20,21)15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8,11-12H2,(H,18,19)(H2,17,20,21).
What are the key properties of 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 2431253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).