4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

C17H24F3N3O3S — CID 20628993

IUPAC4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O3S/c1-12(2)27(25,26)22-15-7-9-23(10-8-15)16(24)21-11-13-3-5-14(6-4-13)17(18,19)20/h3-6,12,15,22H,7-11H2,1-2H3,(H,21,24)
InChIKeyWEDIUGCWWSCJGZ-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.71
Rot. Bonds5

About 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 20628993) has the molecular formula C17H24F3N3O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID20628993
Molecular FormulaC17H24F3N3O3S
Molecular Weight407.46 g/mol
Exact Mass407.15
IUPAC Name4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O3S/c1-12(2)27(25,26)22-15-7-9-23(10-8-15)16(24)21-11-13-3-5-14(6-4-13)17(18,19)20/h3-6,12,15,22H,7-11H2,1-2H3,(H,21,24)
InChIKeyWEDIUGCWWSCJGZ-UHFFFAOYSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (CID 20628993) is 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is WEDIUGCWWSCJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3S/c1-12(2)27(25,26)22-15-7-9-23(10-8-15)16(24)21-11-13-3-5-14(6-4-13)17(18,19)20/h3-6,12,15,22H,7-11H2,1-2H3,(H,21,24).
What are the key properties of 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 20628993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).