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

C17H24F3N3O3S — CID 20628848

IUPACN-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C17H24F3N3O3S/c1-11(2)27(25,26)22-14-6-8-23(9-7-14)16(24)21-15-5-4-13(10-12(15)3)17(18,19)20/h4-5,10-11,14,22H,6-9H2,1-3H3,(H,21,24)
InChIKeyNBWSAJHPVSSBPP-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.34
Rot. Bonds4

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

N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20628848) has the molecular formula C17H24F3N3O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20628848
Molecular FormulaC17H24F3N3O3S
Molecular Weight407.46 g/mol
Exact Mass407.15
IUPAC NameN-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C17H24F3N3O3S/c1-11(2)27(25,26)22-14-6-8-23(9-7-14)16(24)21-15-5-4-13(10-12(15)3)17(18,19)20/h4-5,10-11,14,22H,6-9H2,1-3H3,(H,21,24)
InChIKeyNBWSAJHPVSSBPP-UHFFFAOYSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20628848) is N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is NBWSAJHPVSSBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3S/c1-11(2)27(25,26)22-14-6-8-23(9-7-14)16(24)21-15-5-4-13(10-12(15)3)17(18,19)20/h4-5,10-11,14,22H,6-9H2,1-3H3,(H,21,24).
What are the key properties of N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20628848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).