N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide

C21H19N3O5S — CID 91402886

IUPACN-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C21H19N3O5S/c22-20(26)14-23-21(27)15-10-12-17(13-11-15)30(28,29)24(16-6-2-1-3-7-16)18-8-4-5-9-19(18)25/h1-13,25H,14H2,(H2,22,26)(H,23,27)
InChIKeyHBSRFBQLAMMXBX-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.13
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide

N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide (PubChem CID 91402886) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide
PubChem CID91402886
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC NameN-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C21H19N3O5S/c22-20(26)14-23-21(27)15-10-12-17(13-11-15)30(28,29)24(16-6-2-1-3-7-16)18-8-4-5-9-19(18)25/h1-13,25H,14H2,(H2,22,26)(H,23,27)
InChIKeyHBSRFBQLAMMXBX-UHFFFAOYSA-N
XLogP2.13
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxyphenyl)-phenylsulfamoyl]-N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]benzamide
CID 91362372
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27298108
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 113057197
N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 46494457
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide (CID 91402886) is N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide is NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide?
The InChIKey is HBSRFBQLAMMXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c22-20(26)14-23-21(27)15-10-12-17(13-11-15)30(28,29)24(16-6-2-1-3-7-16)18-8-4-5-9-19(18)25/h1-13,25H,14H2,(H2,22,26)(H,23,27).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide has a molecular weight of 425.47 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[(2-hydroxyphenyl)-phenylsulfamoyl]benzamide is sourced from PubChem (CID 91402886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).