N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C16H11F3N2OS — CID 2467407

IUPACN-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESN#Cc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)12-5-3-6-13(8-12)23-10-15(22)21-14-7-2-1-4-11(14)9-20/h1-8H,10H2,(H,21,22)
InChIKeyRHRSIHDVYUKRNZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.31
Rot. Bonds4

About N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2467407) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2467407
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC NameN-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESN#Cc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)12-5-3-6-13(8-12)23-10-15(22)21-14-7-2-1-4-11(14)9-20/h1-8H,10H2,(H,21,22)
InChIKeyRHRSIHDVYUKRNZ-UHFFFAOYSA-N
XLogP4.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708526
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
CID 108956408
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965065
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
CID 7796207
[2-(2-cyanoanilino)-2-oxoethyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 4787169
[2-(2-cyanoanilino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 6212353
N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697272

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2467407) is N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is N#Cc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is RHRSIHDVYUKRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c17-16(18,19)12-5-3-6-13(8-12)23-10-15(22)21-14-7-2-1-4-11(14)9-20/h1-8H,10H2,(H,21,22).
What are the key properties of N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 336.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2467407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).