3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide

C21H28N2O3S — CID 1289346

IUPAC3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-17(2)16-23-27(25,26)20-11-8-19(9-12-20)10-13-21(24)22-15-14-18-6-4-3-5-7-18/h3-9,11-12,17,23H,10,13-16H2,1-2H3,(H,22,24)
InChIKeyPDQVJIJZAYVMTM-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.91
Rot. Bonds10

About 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide

3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide (PubChem CID 1289346) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide
PubChem CID1289346
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-17(2)16-23-27(25,26)20-11-8-19(9-12-20)10-13-21(24)22-15-14-18-6-4-3-5-7-18/h3-9,11-12,17,23H,10,13-16H2,1-2H3,(H,22,24)
InChIKeyPDQVJIJZAYVMTM-UHFFFAOYSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide (CID 1289346) is 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide?
The InChIKey is PDQVJIJZAYVMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-17(2)16-23-27(25,26)20-11-8-19(9-12-20)10-13-21(24)22-15-14-18-6-4-3-5-7-18/h3-9,11-12,17,23H,10,13-16H2,1-2H3,(H,22,24).
What are the key properties of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide?
3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide has a molecular weight of 388.53 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 1289346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).