N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C19H11ClF3N3OS2 — CID 3594053

IUPACN-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H11ClF3N3OS2/c20-11-3-1-4-12(7-11)25-17(27)10-29-18-13(9-24)14(19(21,22)23)8-15(26-18)16-5-2-6-28-16/h1-8H,10H2,(H,25,27)
InChIKeyOGBSESZSYJOJHG-UHFFFAOYSA-N
MW453.90 g/mol
LogP6.08
Rot. Bonds5

About N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 3594053) has the molecular formula C19H11ClF3N3OS2 and a molecular weight of 453.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID3594053
Molecular FormulaC19H11ClF3N3OS2
Molecular Weight453.90 g/mol
Exact Mass453.00
IUPAC NameN-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H11ClF3N3OS2/c20-11-3-1-4-12(7-11)25-17(27)10-29-18-13(9-24)14(19(21,22)23)8-15(26-18)16-5-2-6-28-16/h1-8H,10H2,(H,25,27)
InChIKeyOGBSESZSYJOJHG-UHFFFAOYSA-N
XLogP6.08
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.90
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide 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
Pyridine-3-carbonitrile, 2-(2-chloro-6-fluorobenzylthio)-6-(2-thienyl)-
CID 632275
N-(4-CL-PH)-2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)acetamide
CID 1115824
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-N-propan-2-ylacetamide
CID 1002423
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanylacetamide
CID 1005162
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
2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1983265
N-(3-bromophenyl)-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
CID 3594054
[({[4-(4-Chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridinyl]sulfanyl}acetyl)amino]acetic acid
CID 9497211

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 3594053) is N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is OGBSESZSYJOJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3OS2/c20-11-3-1-4-12(7-11)25-17(27)10-29-18-13(9-24)14(19(21,22)23)8-15(26-18)16-5-2-6-28-16/h1-8H,10H2,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 453.90 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 3594053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).