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

C26H28N2O3S — CID 55570051

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O3S/c29-26(18-13-20-11-16-24(17-12-20)32(30,31)28-23-14-15-23)27-19-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,16-17,23,25,28H,13-15,18-19H2,(H,27,29)
InChIKeyPOLVCPSMKCCFPG-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.01
Rot. Bonds10

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

3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide (PubChem CID 55570051) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
PubChem CID55570051
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O3S/c29-26(18-13-20-11-16-24(17-12-20)32(30,31)28-23-14-15-23)27-19-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,16-17,23,25,28H,13-15,18-19H2,(H,27,29)
InChIKeyPOLVCPSMKCCFPG-UHFFFAOYSA-N
XLogP4.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)propanamide
CID 56523769
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119404968
N-benzyl-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-hydroxyethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133236966
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55569858
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 43056932
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 1211157
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 55570240
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119612928

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide (CID 55570051) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide?
The InChIKey is POLVCPSMKCCFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c29-26(18-13-20-11-16-24(17-12-20)32(30,31)28-23-14-15-23)27-19-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,16-17,23,25,28H,13-15,18-19H2,(H,27,29).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide has a molecular weight of 448.59 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide is sourced from PubChem (CID 55570051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).