2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C20H21F4N3O3S — CID 37218704

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F4N3O3S/c21-15-3-7-18(8-4-15)31(29,30)26-17-9-11-27(12-10-17)13-19(28)25-16-5-1-14(2-6-16)20(22,23)24/h1-8,17,26H,9-13H2,(H,25,28)
InChIKeyYEBYAVUSAGVGSF-UHFFFAOYSA-N
MW459.47 g/mol
LogP3.23
Rot. Bonds6

About 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 37218704) has the molecular formula C20H21F4N3O3S and a molecular weight of 459.47 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID37218704
Molecular FormulaC20H21F4N3O3S
Molecular Weight459.47 g/mol
Exact Mass459.12
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F4N3O3S/c21-15-3-7-18(8-4-15)31(29,30)26-17-9-11-27(12-10-17)13-19(28)25-16-5-1-14(2-6-16)20(22,23)24/h1-8,17,26H,9-13H2,(H,25,28)
InChIKeyYEBYAVUSAGVGSF-UHFFFAOYSA-N
XLogP3.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide
CID 60508186
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
4-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26701623
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide
CID 60511265
4-(cyclopropylsulfamoyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 24618223
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60508249
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 155980857
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 37218704) is 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YEBYAVUSAGVGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N3O3S/c21-15-3-7-18(8-4-15)31(29,30)26-17-9-11-27(12-10-17)13-19(28)25-16-5-1-14(2-6-16)20(22,23)24/h1-8,17,26H,9-13H2,(H,25,28).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 459.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 37218704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).