N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide

C17H19N3O4S — CID 46415026

IUPACN-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19N3O4S/c1-18-25(23,24)15-10-6-7-13(11-15)17(22)20(2)12-16(21)19-14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3,(H,19,21)
InChIKeyXJPPZGFXJUYQPB-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.31
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide

N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide (PubChem CID 46415026) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
PubChem CID46415026
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19N3O4S/c1-18-25(23,24)15-10-6-7-13(11-15)17(22)20(2)12-16(21)19-14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3,(H,19,21)
InChIKeyXJPPZGFXJUYQPB-UHFFFAOYSA-N
XLogP1.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9440801
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007
N-methyl-3-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9219104
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 27227245
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 26560928
N-methyl-N-[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl]benzamide
CID 55573199
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 9374642
3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide (CID 46415026) is N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide?
The InChIKey is XJPPZGFXJUYQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-18-25(23,24)15-10-6-7-13(11-15)17(22)20(2)12-16(21)19-14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide?
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide has a molecular weight of 361.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 46415026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).