4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide

C20H13F3N4O2S2 — CID 3521607

IUPAC4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H13F3N4O2S2/c21-20(22,23)14-8-15(16-2-1-7-30-16)27-19(13(14)9-24)31-10-17(28)26-12-5-3-11(4-6-12)18(25)29/h1-8H,10H2,(H2,25,29)(H,26,28)
InChIKeyDTBYTVMXAVJXEV-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.53
Rot. Bonds6

About 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide

4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide (PubChem CID 3521607) has the molecular formula C20H13F3N4O2S2 and a molecular weight of 462.48 g/mol. Its IUPAC name is 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide
PubChem CID3521607
Molecular FormulaC20H13F3N4O2S2
Molecular Weight462.48 g/mol
Exact Mass462.04
IUPAC Name4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H13F3N4O2S2/c21-20(22,23)14-8-15(16-2-1-7-30-16)27-19(13(14)9-24)31-10-17(28)26-12-5-3-11(4-6-12)18(25)29/h1-8H,10H2,(H2,25,29)(H,26,28)
InChIKeyDTBYTVMXAVJXEV-UHFFFAOYSA-N
XLogP4.53
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide with MolForge

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Related Compounds

2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
CID 2525578
6-Cyclopropyl-4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
CID 2308471
3-amino-6-(2-thienyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1003440
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1238361
2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1270666
6-Cyclopropyl-4-(2-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
CID 2307119
Ethyl 4-[({[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]benzoate
CID 4146227
2-[(2-Oxo-2-phenylethyl)thio]-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 1240389
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
CID 4992398
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(2-F-PH)acetamide
CID 1369336

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide (CID 3521607) is 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide is N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide?
The InChIKey is DTBYTVMXAVJXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2S2/c21-20(22,23)14-8-15(16-2-1-7-30-16)27-19(13(14)9-24)31-10-17(28)26-12-5-3-11(4-6-12)18(25)29/h1-8H,10H2,(H2,25,29)(H,26,28).
What are the key properties of 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide?
4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide has a molecular weight of 462.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 3521607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).