N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide

C14H17F6N3O4S — CID 89185244

IUPACN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide
SMILESO=C(CCCCNS(=O)(=O)CC(F)(F)F)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H17F6N3O4S/c15-13(16,17)8-27-12-5-4-10(7-21-12)23-11(24)3-1-2-6-22-28(25,26)9-14(18,19)20/h4-5,7,22H,1-3,6,8-9H2,(H,23,24)
InChIKeyWWWDIEPWDMJLHW-UHFFFAOYSA-N
MW437.36 g/mol
LogP2.61
Rot. Bonds10

About N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide

N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide (PubChem CID 89185244) has the molecular formula C14H17F6N3O4S and a molecular weight of 437.36 g/mol. Its IUPAC name is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide
PubChem CID89185244
Molecular FormulaC14H17F6N3O4S
Molecular Weight437.36 g/mol
Exact Mass437.08
IUPAC NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide
SMILESO=C(CCCCNS(=O)(=O)CC(F)(F)F)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H17F6N3O4S/c15-13(16,17)8-27-12-5-4-10(7-21-12)23-11(24)3-1-2-6-22-28(25,26)9-14(18,19)20/h4-5,7,22H,1-3,6,8-9H2,(H,23,24)
InChIKeyWWWDIEPWDMJLHW-UHFFFAOYSA-N
XLogP2.61
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide
CID 71206156
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 55712283
2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 79285571
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
3-[(2S)-oxolan-2-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 94118334
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
CID 61063335
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide?
The IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide (CID 89185244) is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide.
What is the SMILES notation for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide?
The canonical SMILES for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide is O=C(CCCCNS(=O)(=O)CC(F)(F)F)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide?
The InChIKey is WWWDIEPWDMJLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N3O4S/c15-13(16,17)8-27-12-5-4-10(7-21-12)23-11(24)3-1-2-6-22-28(25,26)9-14(18,19)20/h4-5,7,22H,1-3,6,8-9H2,(H,23,24).
What are the key properties of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide?
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide has a molecular weight of 437.36 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide is sourced from PubChem (CID 89185244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).