N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

C23H22N2O4S — CID 34830846

IUPACN-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C23H22N2O4S/c1-3-25(21-12-5-4-6-13-21)30(28,29)22-14-8-10-19(16-22)23(27)24-20-11-7-9-18(15-20)17(2)26/h4-16H,3H2,1-2H3,(H,24,27)
InChIKeyGEVKQFZDBBGOHH-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.36
Rot. Bonds7

About N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 34830846) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID34830846
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C23H22N2O4S/c1-3-25(21-12-5-4-6-13-21)30(28,29)22-14-8-10-19(16-22)23(27)24-20-11-7-9-18(15-20)17(2)26/h4-16H,3H2,1-2H3,(H,24,27)
InChIKeyGEVKQFZDBBGOHH-UHFFFAOYSA-N
XLogP4.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 35727860
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 55532858
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
N-(3-acetylphenyl)-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 18097238
N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 26524233
3-[ethyl(phenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382613
3-[ethyl(phenyl)sulfamoyl]-N-(2-propoxyphenyl)benzamide
CID 112793585
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 119405879

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (CID 34830846) is N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is GEVKQFZDBBGOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-3-25(21-12-5-4-6-13-21)30(28,29)22-14-8-10-19(16-22)23(27)24-20-11-7-9-18(15-20)17(2)26/h4-16H,3H2,1-2H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 34830846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).