2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

C20H23F2N3O3S — CID 78821635

IUPAC2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1c(F)cccc1F
InChIInChI=1S/C20H23F2N3O3S/c1-14-8-9-15(29(27,28)25-10-3-2-4-11-25)12-18(14)24-19(26)13-23-20-16(21)6-5-7-17(20)22/h5-9,12,23H,2-4,10-11,13H2,1H3,(H,24,26)
InChIKeyHLULLCYTQUAADV-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.50
Rot. Bonds6

About 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 78821635) has the molecular formula C20H23F2N3O3S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID78821635
Molecular FormulaC20H23F2N3O3S
Molecular Weight423.49 g/mol
Exact Mass423.14
IUPAC Name2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1c(F)cccc1F
InChIInChI=1S/C20H23F2N3O3S/c1-14-8-9-15(29(27,28)25-10-3-2-4-11-25)12-18(14)24-19(26)13-23-20-16(21)6-5-7-17(20)22/h5-9,12,23H,2-4,10-11,13H2,1H3,(H,24,26)
InChIKeyHLULLCYTQUAADV-UHFFFAOYSA-N
XLogP3.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
2-[1-(3,4-difluorophenyl)ethylamino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 42914250
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 24510824
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 3967856
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 78821635) is 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is HLULLCYTQUAADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3S/c1-14-8-9-15(29(27,28)25-10-3-2-4-11-25)12-18(14)24-19(26)13-23-20-16(21)6-5-7-17(20)22/h5-9,12,23H,2-4,10-11,13H2,1H3,(H,24,26).
What are the key properties of 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 423.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 78821635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).