N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide

C22H25F2N3O4S — CID 24979798

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H25F2N3O4S/c1-2-26(15-20(28)25-21-18(23)7-6-8-19(21)24)22(29)16-9-11-17(12-10-16)32(30,31)27-13-4-3-5-14-27/h6-12H,2-5,13-15H2,1H3,(H,25,28)
InChIKeyJTAUJMLIVNVBOW-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 24979798) has the molecular formula C22H25F2N3O4S and a molecular weight of 465.52 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
PubChem CID24979798
Molecular FormulaC22H25F2N3O4S
Molecular Weight465.52 g/mol
Exact Mass465.15
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H25F2N3O4S/c1-2-26(15-20(28)25-21-18(23)7-6-8-19(21)24)22(29)16-9-11-17(12-10-16)32(30,31)27-13-4-3-5-14-27/h6-12H,2-5,13-15H2,1H3,(H,25,28)
InChIKeyJTAUJMLIVNVBOW-UHFFFAOYSA-N
XLogP3.24
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-morpholin-4-ylsulfonylbenzamide
CID 26266256
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 25163577
4-(azepan-1-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 24817036
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4846366
N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41236063
3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 24982037
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24981139
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
ethyl 4-[4-(diethylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 47952715
N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide
CID 55472471

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide (CID 24979798) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is JTAUJMLIVNVBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4S/c1-2-26(15-20(28)25-21-18(23)7-6-8-19(21)24)22(29)16-9-11-17(12-10-16)32(30,31)27-13-4-3-5-14-27/h6-12H,2-5,13-15H2,1H3,(H,25,28).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 465.52 g/mol, XLogP of 3.24, 7 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-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24979798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).