N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide

C17H19N3O4S — CID 100785351

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-2-25(23,24)20-15-9-5-13(6-10-15)17(22)19-14-7-3-12(4-8-14)11-16(18)21/h3-10,20H,2,11H2,1H3,(H2,18,21)(H,19,22)
InChIKeyWONPYTIOUCIBIP-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.73
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide

N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide (PubChem CID 100785351) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide
PubChem CID100785351
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-2-25(23,24)20-15-9-5-13(6-10-15)17(22)19-14-7-3-12(4-8-14)11-16(18)21/h3-10,20H,2,11H2,1H3,(H2,18,21)(H,19,22)
InChIKeyWONPYTIOUCIBIP-UHFFFAOYSA-N
XLogP1.73
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 47051930
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
CID 2996698
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55614368
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
CID 43714343
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
4-(ethylsulfonylamino)benzenecarbothioamide
CID 24696000
2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 55960852
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide (CID 100785351) is N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide is CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide?
The InChIKey is WONPYTIOUCIBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-2-25(23,24)20-15-9-5-13(6-10-15)17(22)19-14-7-3-12(4-8-14)11-16(18)21/h3-10,20H,2,11H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide has a molecular weight of 361.42 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 100785351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).