N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide

C21H23F2N3O5S — CID 26266256

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H23F2N3O5S/c1-2-25(14-19(27)24-20-17(22)4-3-5-18(20)23)21(28)15-6-8-16(9-7-15)32(29,30)26-10-12-31-13-11-26/h3-9H,2,10-14H2,1H3,(H,24,27)
InChIKeyCIJGSNJLJWVPOP-UHFFFAOYSA-N
MW467.49 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 26266256) has the molecular formula C21H23F2N3O5S and a molecular weight of 467.49 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide
PubChem CID26266256
Molecular FormulaC21H23F2N3O5S
Molecular Weight467.49 g/mol
Exact Mass467.13
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H23F2N3O5S/c1-2-25(14-19(27)24-20-17(22)4-3-5-18(20)23)21(28)15-6-8-16(9-7-15)32(29,30)26-10-12-31-13-11-26/h3-9H,2,10-14H2,1H3,(H,24,27)
InChIKeyCIJGSNJLJWVPOP-UHFFFAOYSA-N
XLogP2.09
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[ethyl(phenyl)sulfamoyl]benzamide
CID 25163577
N-(2,6-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27101599
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 34736303
N-(2,6-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 76859964
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 24982037
ethyl 4-[4-(diethylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 47952715
2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 55343818
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8855114
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide (CID 26266256) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CIJGSNJLJWVPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O5S/c1-2-25(14-19(27)24-20-17(22)4-3-5-18(20)23)21(28)15-6-8-16(9-7-15)32(29,30)26-10-12-31-13-11-26/h3-9H,2,10-14H2,1H3,(H,24,27).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 467.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26266256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).