N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide

C17H19N3O4S — CID 55603942

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC(N)=O)c1
InChIInChI=1S/C17H19N3O4S/c1-20(2)25(23,24)14-8-5-7-13(10-14)17(22)19-15-9-4-3-6-12(15)11-16(18)21/h3-10H,11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyQKJAAQUHAIMVFR-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.22
Rot. Bonds6

About N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide

N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 55603942) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID55603942
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC(N)=O)c1
InChIInChI=1S/C17H19N3O4S/c1-20(2)25(23,24)14-8-5-7-13(10-14)17(22)19-15-9-4-3-6-12(15)11-16(18)21/h3-10H,11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyQKJAAQUHAIMVFR-UHFFFAOYSA-N
XLogP1.22
TPSA109.57 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-(dimethylsulfamoyl)-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 2379537

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide (CID 55603942) is N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC(N)=O)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is QKJAAQUHAIMVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-20(2)25(23,24)14-8-5-7-13(10-14)17(22)19-15-9-4-3-6-12(15)11-16(18)21/h3-10H,11H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 361.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 55603942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).