N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide

C20H23F2N3O4S — CID 38370916

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C20H23F2N3O4S/c1-4-23-30(28,29)14-10-9-13(3)15(11-14)20(27)25(5-2)12-18(26)24-19-16(21)7-6-8-17(19)22/h6-11,23H,4-5,12H2,1-3H3,(H,24,26)
InChIKeyITDYPVQJXPCGOJ-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.67
Rot. Bonds8

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 38370916) has the molecular formula C20H23F2N3O4S and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID38370916
Molecular FormulaC20H23F2N3O4S
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C20H23F2N3O4S/c1-4-23-30(28,29)14-10-9-13(3)15(11-14)20(27)25(5-2)12-18(26)24-19-16(21)7-6-8-17(19)22/h6-11,23H,4-5,12H2,1-3H3,(H,24,26)
InChIKeyITDYPVQJXPCGOJ-UHFFFAOYSA-N
XLogP2.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 120636103
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 38369368
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242
N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 38369270
5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46469817
2-chloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-nitrobenzamide
CID 7927462
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 25163577

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide (CID 38370916) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is ITDYPVQJXPCGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4S/c1-4-23-30(28,29)14-10-9-13(3)15(11-14)20(27)25(5-2)12-18(26)24-19-16(21)7-6-8-17(19)22/h6-11,23H,4-5,12H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 439.48 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 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-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 38370916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).