2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide

C18H23N3O3S — CID 24616722

IUPAC2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(2)21(3)25(23,24)17-11-9-15(10-12-17)19-13-18(22)20-16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3,(H,20,22)
InChIKeyULLOGYPBUWBEJU-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.77
Rot. Bonds7

About 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide

2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide (PubChem CID 24616722) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
PubChem CID24616722
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(2)21(3)25(23,24)17-11-9-15(10-12-17)19-13-18(22)20-16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3,(H,20,22)
InChIKeyULLOGYPBUWBEJU-UHFFFAOYSA-N
XLogP2.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616694
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
2-(3,4-dimethylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 8759555
N-(2-methoxydibenzofuran-3-yl)-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616682
[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 9200014
N-(2-methoxyethylcarbamoyl)-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616690
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid
CID 122074429

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide?
The IUPAC name of 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide (CID 24616722) is 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide?
The canonical SMILES for 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide is CC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide?
The InChIKey is ULLOGYPBUWBEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(2)21(3)25(23,24)17-11-9-15(10-12-17)19-13-18(22)20-16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3,(H,20,22).
What are the key properties of 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide?
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide has a molecular weight of 361.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide is sourced from PubChem (CID 24616722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).