N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide

C19H20F3NO2S — CID 73167827

IUPACN-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)15-4-1-3-14(13-15)18(24)23(16-7-10-25-11-8-16)9-6-17-5-2-12-26-17/h1-5,12-13,16H,6-11H2
InChIKeyVSEFYDAEYYFYAU-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.63
Rot. Bonds5

About N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide

N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide (PubChem CID 73167827) has the molecular formula C19H20F3NO2S and a molecular weight of 383.44 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide
PubChem CID73167827
Molecular FormulaC19H20F3NO2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC NameN-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)15-4-1-3-14(13-15)18(24)23(16-7-10-25-11-8-16)9-6-17-5-2-12-26-17/h1-5,12-13,16H,6-11H2
InChIKeyVSEFYDAEYYFYAU-UHFFFAOYSA-N
XLogP4.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.63
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)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide (CID 73167827) is N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide is O=C(c1cccc(C(F)(F)F)c1)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is VSEFYDAEYYFYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c20-19(21,22)15-4-1-3-14(13-15)18(24)23(16-7-10-25-11-8-16)9-6-17-5-2-12-26-17/h1-5,12-13,16H,6-11H2.
What are the key properties of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide?
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 383.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 73167827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).