N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide

C19H21F2N3O3S — CID 9083905

IUPACN-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O3S/c20-17-9-6-15(12-18(17)21)23-19(25)13-22-14-4-7-16(8-5-14)28(26,27)24-10-2-1-3-11-24/h4-9,12,22H,1-3,10-11,13H2,(H,23,25)
InChIKeyHVXHUZAFQDTZDF-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.19
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide

N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 9083905) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID9083905
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O3S/c20-17-9-6-15(12-18(17)21)23-19(25)13-22-14-4-7-16(8-5-14)28(26,27)24-10-2-1-3-11-24/h4-9,12,22H,1-3,10-11,13H2,(H,23,25)
InChIKeyHVXHUZAFQDTZDF-UHFFFAOYSA-N
XLogP3.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
CID 42067264
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
2-(2-fluoro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9100939
N-(2-chloro-4-fluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083656
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 28556016
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide
CID 24510831
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 78828634
2-[4-(azepan-1-ylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31054392
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide (CID 9083905) is N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide is O=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is HVXHUZAFQDTZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c20-17-9-6-15(12-18(17)21)23-19(25)13-22-14-4-7-16(8-5-14)28(26,27)24-10-2-1-3-11-24/h4-9,12,22H,1-3,10-11,13H2,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide?
N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 409.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).