3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C18H22N2O3S — CID 935614

IUPAC3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)20-24(22,23)17-11-9-16(10-12-17)19-18(21)13-8-15-6-4-3-5-7-15/h3-7,9-12,14,20H,8,13H2,1-2H3,(H,19,21)
InChIKeyDUJPFOJWEGLVLF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.94
Rot. Bonds7

About 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 935614) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID935614
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)20-24(22,23)17-11-9-16(10-12-17)19-18(21)13-8-15-6-4-3-5-7-15/h3-7,9-12,14,20H,8,13H2,1-2H3,(H,19,21)
InChIKeyDUJPFOJWEGLVLF-UHFFFAOYSA-N
XLogP2.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 935614) is 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is DUJPFOJWEGLVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(2)20-24(22,23)17-11-9-16(10-12-17)19-18(21)13-8-15-6-4-3-5-7-15/h3-7,9-12,14,20H,8,13H2,1-2H3,(H,19,21).
What are the key properties of 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 935614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).