N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

C24H26N2O3S — CID 27770572

IUPACN-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-25-30(28,29)22-15-12-19(13-16-22)14-17-24(27)26-18-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,15-16,23,25H,14,17-18H2,1H3,(H,26,27)
InChIKeyPUYZDDOOWPKTNH-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.48
Rot. Bonds9

About N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 27770572) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID27770572
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-25-30(28,29)22-15-12-19(13-16-22)14-17-24(27)26-18-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,15-16,23,25H,14,17-18H2,1H3,(H,26,27)
InChIKeyPUYZDDOOWPKTNH-UHFFFAOYSA-N
XLogP3.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide
CID 51332572
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43019245
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 134028769
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46522484
N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119629648
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 27770572) is N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is PUYZDDOOWPKTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-25-30(28,29)22-15-12-19(13-16-22)14-17-24(27)26-18-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,15-16,23,25H,14,17-18H2,1H3,(H,26,27).
What are the key properties of N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 422.55 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 27770572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).