N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide

C23H23N3O4S — CID 55779161

IUPACN-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c1-26(2)31(29,30)20-15-13-18(14-16-20)22(27)25-21(17-9-5-3-6-10-17)23(28)24-19-11-7-4-8-12-19/h3-16,21H,1-2H3,(H,24,28)(H,25,27)
InChIKeyKDUMPFMKLXIATE-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.05
Rot. Bonds7

About N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide

N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 55779161) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide
PubChem CID55779161
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c1-26(2)31(29,30)20-15-13-18(14-16-20)22(27)25-21(17-9-5-3-6-10-17)23(28)24-19-11-7-4-8-12-19/h3-16,21H,1-2H3,(H,24,28)(H,25,27)
InChIKeyKDUMPFMKLXIATE-UHFFFAOYSA-N
XLogP3.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N-(2-anilino-2-oxo-1-phenylethyl)-4-ethylbenzamide
CID 55726687
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
3-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218999
N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide
CID 55779074
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
CID 6465200
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide (CID 55779161) is N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is KDUMPFMKLXIATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-26(2)31(29,30)20-15-13-18(14-16-20)22(27)25-21(17-9-5-3-6-10-17)23(28)24-19-11-7-4-8-12-19/h3-16,21H,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide?
N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 55779161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).