2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide

C18H22N2O4S — CID 2219117

IUPAC2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-3-12-19-18(21)13-24-16-8-10-17(11-9-16)25(22,23)20-15-6-4-14(2)5-7-15/h4-11,20H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyNQERRKZTKHOXTE-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.70
Rot. Bonds8

About 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide

2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide (PubChem CID 2219117) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide
PubChem CID2219117
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-3-12-19-18(21)13-24-16-8-10-17(11-9-16)25(22,23)20-15-6-4-14(2)5-7-15/h4-11,20H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyNQERRKZTKHOXTE-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pnu-177864
CID 9887351
Methanesulfonamide, N-(4-(2-((2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl)-
CID 10455225
N-[[3-[(2S)-2-Hydroxy-3-[[2-[4-[(phenylsulfonyl)amino]phenyl]ethyl]amino]propoxy]phenyl]methyl]-acetamide
CID 10028830
N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N,7-dimethyl-3-oxo-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295635
2-{4-[(isopropylamino)sulfonyl]phenoxy}-N-1-naphthylacetamide
CID 1314065
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 4689808

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide (CID 2219117) is 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide is CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide?
The InChIKey is NQERRKZTKHOXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-3-12-19-18(21)13-24-16-8-10-17(11-9-16)25(22,23)20-15-6-4-14(2)5-7-15/h4-11,20H,3,12-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide?
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide has a molecular weight of 362.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-propylacetamide is sourced from PubChem (CID 2219117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).