2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

C20H22F3N3O3S — CID 25331870

IUPAC2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)15-7-9-16(10-8-15)25-19(27)14-24-17-5-4-6-18(13-17)30(28,29)26-11-2-1-3-12-26/h4-10,13,24H,1-3,11-12,14H2,(H,25,27)
InChIKeyQLWPKPQADRHJGQ-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.93
Rot. Bonds6

About 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 25331870) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID25331870
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC Name2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)15-7-9-16(10-8-15)25-19(27)14-24-17-5-4-6-18(13-17)30(28,29)26-11-2-1-3-12-26/h4-10,13,24H,1-3,11-12,14H2,(H,25,27)
InChIKeyQLWPKPQADRHJGQ-UHFFFAOYSA-N
XLogP3.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 25331870) is 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QLWPKPQADRHJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c21-20(22,23)15-7-9-16(10-8-15)25-19(27)14-24-17-5-4-6-18(13-17)30(28,29)26-11-2-1-3-12-26/h4-10,13,24H,1-3,11-12,14H2,(H,25,27).
What are the key properties of 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 441.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25331870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).