N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C17H22F3NO2S — CID 90554814

IUPACN-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESO=C(N(CC(F)(F)F)C1CCOCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H22F3NO2S/c18-17(19,20)12-21(13-5-9-23-10-6-13)15(22)16(7-1-2-8-16)14-4-3-11-24-14/h3-4,11,13H,1-2,5-10,12H2
InChIKeyKAAUZTVGTASHCZ-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.13
Rot. Bonds4

About N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 90554814) has the molecular formula C17H22F3NO2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID90554814
Molecular FormulaC17H22F3NO2S
Molecular Weight361.43 g/mol
Exact Mass361.13
IUPAC NameN-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESO=C(N(CC(F)(F)F)C1CCOCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H22F3NO2S/c18-17(19,20)12-21(13-5-9-23-10-6-13)15(22)16(7-1-2-8-16)14-4-3-11-24-14/h3-4,11,13H,1-2,5-10,12H2
InChIKeyKAAUZTVGTASHCZ-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 90554814) is N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is O=C(N(CC(F)(F)F)C1CCOCC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is KAAUZTVGTASHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2S/c18-17(19,20)12-21(13-5-9-23-10-6-13)15(22)16(7-1-2-8-16)14-4-3-11-24-14/h3-4,11,13H,1-2,5-10,12H2.
What are the key properties of N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 90554814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).