N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide

C25H25F2N3O4S — CID 25163577

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C25H25F2N3O4S/c1-3-29(17-23(31)28-24-21(26)11-8-12-22(24)27)25(32)18-13-15-20(16-14-18)35(33,34)30(4-2)19-9-6-5-7-10-19/h5-16H,3-4,17H2,1-2H3,(H,28,31)
InChIKeyCVIGVCITUICRPC-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.28
Rot. Bonds9

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 25163577) has the molecular formula C25H25F2N3O4S and a molecular weight of 501.56 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID25163577
Molecular FormulaC25H25F2N3O4S
Molecular Weight501.56 g/mol
Exact Mass501.15
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C25H25F2N3O4S/c1-3-29(17-23(31)28-24-21(26)11-8-12-22(24)27)25(32)18-13-15-20(16-14-18)35(33,34)30(4-2)19-9-6-5-7-10-19/h5-16H,3-4,17H2,1-2H3,(H,28,31)
InChIKeyCVIGVCITUICRPC-UHFFFAOYSA-N
XLogP4.28
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 24982037
N-(2,6-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2223913
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 24979798
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide
CID 26266256
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 45372015
N-(2,6-dimethylphenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289243
N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 38369270
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(methoxymethyl)benzamide
CID 38369967
N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 2206422
4-[ethyl(phenyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 4797097
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 25163577) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is CVIGVCITUICRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O4S/c1-3-29(17-23(31)28-24-21(26)11-8-12-22(24)27)25(32)18-13-15-20(16-14-18)35(33,34)30(4-2)19-9-6-5-7-10-19/h5-16H,3-4,17H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 501.56 g/mol, XLogP of 4.28, 9 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-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 25163577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).