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

C18H21N3O4S — CID 55672416

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC(N)=O)c1
InChIInChI=1S/C18H21N3O4S/c1-12(2)21-26(24,25)15-8-5-7-14(10-15)18(23)20-16-9-4-3-6-13(16)11-17(19)22/h3-10,12,21H,11H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyKOCZNWALTBUECV-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.65
Rot. Bonds7

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

N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55672416) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID55672416
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC(N)=O)c1
InChIInChI=1S/C18H21N3O4S/c1-12(2)21-26(24,25)15-8-5-7-14(10-15)18(23)20-16-9-4-3-6-13(16)11-17(19)22/h3-10,12,21H,11H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyKOCZNWALTBUECV-UHFFFAOYSA-N
XLogP1.65
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 55603942
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 55672416) is N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC(N)=O)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is KOCZNWALTBUECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12(2)21-26(24,25)15-8-5-7-14(10-15)18(23)20-16-9-4-3-6-13(16)11-17(19)22/h3-10,12,21H,11H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 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-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55672416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).