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

C18H26F3N3O4S — CID 59429943

IUPACN-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F
InChIInChI=1S/C18H26F3N3O4S/c1-4-28-16-11-14(5-6-15(16)18(19,20)21)22-17(25)24-9-7-13(8-10-24)23-29(26,27)12(2)3/h5-6,11-13,23H,4,7-10H2,1-3H3,(H,22,25)
InChIKeyBWYAQUOQHHHPAZ-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.43
Rot. Bonds6

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

N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 59429943) has the molecular formula C18H26F3N3O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID59429943
Molecular FormulaC18H26F3N3O4S
Molecular Weight437.48 g/mol
Exact Mass437.16
IUPAC NameN-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F
InChIInChI=1S/C18H26F3N3O4S/c1-4-28-16-11-14(5-6-15(16)18(19,20)21)22-17(25)24-9-7-13(8-10-24)23-29(26,27)12(2)3/h5-6,11-13,23H,4,7-10H2,1-3H3,(H,22,25)
InChIKeyBWYAQUOQHHHPAZ-UHFFFAOYSA-N
XLogP3.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 59429943) is N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CCOc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.
What is the InChIKey of N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is BWYAQUOQHHHPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O4S/c1-4-28-16-11-14(5-6-15(16)18(19,20)21)22-17(25)24-9-7-13(8-10-24)23-29(26,27)12(2)3/h5-6,11-13,23H,4,7-10H2,1-3H3,(H,22,25).
What are the key properties of N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 59429943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).