N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide

C21H20N2O4S — CID 1226821

IUPACN-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-23(18-8-4-2-5-9-18)28(25,26)20-14-12-17(13-15-20)22-21(24)16-27-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,22,24)
InChIKeySPUSRIPEAAUNRC-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.53
Rot. Bonds7

About N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide

N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide (PubChem CID 1226821) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
PubChem CID1226821
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-23(18-8-4-2-5-9-18)28(25,26)20-14-12-17(13-15-20)22-21(24)16-27-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,22,24)
InChIKeySPUSRIPEAAUNRC-UHFFFAOYSA-N
XLogP3.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide (CID 1226821) is N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide is CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide?
The InChIKey is SPUSRIPEAAUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-23(18-8-4-2-5-9-18)28(25,26)20-14-12-17(13-15-20)22-21(24)16-27-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,22,24).
What are the key properties of N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide?
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide has a molecular weight of 396.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 1226821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).