N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide

C24H23F2N3O4S — CID 24982037

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H23F2N3O4S/c1-3-29(16-22(30)27-23-20(25)13-8-14-21(23)26)24(31)17-9-7-12-19(15-17)34(32,33)28(2)18-10-5-4-6-11-18/h4-15H,3,16H2,1-2H3,(H,27,30)
InChIKeyHSXAGKCCNOKRLK-UHFFFAOYSA-N
MW487.53 g/mol
LogP3.89
Rot. Bonds8

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 24982037) has the molecular formula C24H23F2N3O4S and a molecular weight of 487.53 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID24982037
Molecular FormulaC24H23F2N3O4S
Molecular Weight487.53 g/mol
Exact Mass487.14
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H23F2N3O4S/c1-3-29(16-22(30)27-23-20(25)13-8-14-21(23)26)24(31)17-9-7-12-19(15-17)34(32,33)28(2)18-10-5-4-6-11-18/h4-15H,3,16H2,1-2H3,(H,27,30)
InChIKeyHSXAGKCCNOKRLK-UHFFFAOYSA-N
XLogP3.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 25163577
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(methoxymethyl)benzamide
CID 38369967
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 45372015
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 24979798
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide
CID 26266256
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 38369270
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 38369368
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 120831499

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide (CID 24982037) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is HSXAGKCCNOKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4S/c1-3-29(16-22(30)27-23-20(25)13-8-14-21(23)26)24(31)17-9-7-12-19(15-17)34(32,33)28(2)18-10-5-4-6-11-18/h4-15H,3,16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 487.53 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24982037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).