3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide

C23H30N2O3S — CID 32545458

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-24-29(27,28)21-13-10-19(11-14-21)12-15-22(26)25-18-23(16-6-3-7-17-23)20-8-4-2-5-9-20/h2,4-5,8-11,13-14,24H,3,6-7,12,15-18H2,1H3,(H,25,26)
InChIKeyBNBFFIDKDVPRQR-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.55
Rot. Bonds8

About 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide

3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide (PubChem CID 32545458) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide
PubChem CID32545458
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-24-29(27,28)21-13-10-19(11-14-21)12-15-22(26)25-18-23(16-6-3-7-17-23)20-8-4-2-5-9-20/h2,4-5,8-11,13-14,24H,3,6-7,12,15-18H2,1H3,(H,25,26)
InChIKeyBNBFFIDKDVPRQR-UHFFFAOYSA-N
XLogP3.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55802503
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30308521
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide
CID 51332572
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 32545358
4-[(1-phenylcyclohexyl)methylsulfamoyl]benzamide
CID 46457755
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide (CID 32545458) is 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCC2(c3ccccc3)CCCCC2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide?
The InChIKey is BNBFFIDKDVPRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-24-29(27,28)21-13-10-19(11-14-21)12-15-22(26)25-18-23(16-6-3-7-17-23)20-8-4-2-5-9-20/h2,4-5,8-11,13-14,24H,3,6-7,12,15-18H2,1H3,(H,25,26).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide has a molecular weight of 414.57 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 32545458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).