N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C17H24F3N3O4S — CID 20628869

IUPACN-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F
InChIInChI=1S/C17H24F3N3O4S/c1-11(2)28(25,26)22-12-6-8-23(9-7-12)16(24)21-13-4-5-14(17(18,19)20)15(10-13)27-3/h4-5,10-12,22H,6-9H2,1-3H3,(H,21,24)
InChIKeyAWNNLLQKQHDPJH-UHFFFAOYSA-N
MW423.46 g/mol
LogP3.04
Rot. Bonds5

About N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20628869) has the molecular formula C17H24F3N3O4S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20628869
Molecular FormulaC17H24F3N3O4S
Molecular Weight423.46 g/mol
Exact Mass423.14
IUPAC NameN-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F
InChIInChI=1S/C17H24F3N3O4S/c1-11(2)28(25,26)22-12-6-8-23(9-7-12)16(24)21-13-4-5-14(17(18,19)20)15(10-13)27-3/h4-5,10-12,22H,6-9H2,1-3H3,(H,21,24)
InChIKeyAWNNLLQKQHDPJH-UHFFFAOYSA-N
XLogP3.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20628869) is N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.
What is the InChIKey of N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is AWNNLLQKQHDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O4S/c1-11(2)28(25,26)22-12-6-8-23(9-7-12)16(24)21-13-4-5-14(17(18,19)20)15(10-13)27-3/h4-5,10-12,22H,6-9H2,1-3H3,(H,21,24).
What are the key properties of N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20628869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).