4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide

C17H14F3NOS2 — CID 7962066

IUPAC4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C17H14F3NOS2/c18-17(19,20)13-5-7-14(8-6-13)21-15(22)11-1-3-12(4-2-11)16-23-9-10-24-16/h1-8,16H,9-10H2,(H,21,22)
InChIKeyLTKSRIWDDWXPEF-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.44
Rot. Bonds3

About 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide

4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 7962066) has the molecular formula C17H14F3NOS2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID7962066
Molecular FormulaC17H14F3NOS2
Molecular Weight369.43 g/mol
Exact Mass369.05
IUPAC Name4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C17H14F3NOS2/c18-17(19,20)13-5-7-14(8-6-13)21-15(22)11-1-3-12(4-2-11)16-23-9-10-24-16/h1-8,16H,9-10H2,(H,21,22)
InChIKeyLTKSRIWDDWXPEF-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 26907180
4-(1,3-dithiolan-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782402
4-(1,3-dithiolan-2-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 122157598
propyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]benzoate
CID 26199145
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062195
N-[4-(cyanomethyl)phenyl]-4-(1,3-dithian-2-yl)benzamide
CID 9261082
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
4-(1,3-dithian-2-yl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38206907
4-(1,3-dithian-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782760
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 26894465

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 7962066) is 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C2SCCS2)cc1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LTKSRIWDDWXPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NOS2/c18-17(19,20)13-5-7-14(8-6-13)21-15(22)11-1-3-12(4-2-11)16-23-9-10-24-16/h1-8,16H,9-10H2,(H,21,22).
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide?
4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 369.43 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 7962066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).