4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide

C24H13ClF3N3OS2 — CID 2746781

IUPAC4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1Sc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H13ClF3N3OS2/c25-15-9-7-14(8-10-15)22(32)30-18-4-1-2-5-21(18)34-23-16(13-29)17(24(26,27)28)12-19(31-23)20-6-3-11-33-20/h1-12H,(H,30,32)
InChIKeySYOOHBJGWKXPSO-UHFFFAOYSA-N
MW515.97 g/mol
LogP7.76
Rot. Bonds5

About 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide

4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide (PubChem CID 2746781) has the molecular formula C24H13ClF3N3OS2 and a molecular weight of 515.97 g/mol. Its IUPAC name is 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide
PubChem CID2746781
Molecular FormulaC24H13ClF3N3OS2
Molecular Weight515.97 g/mol
Exact Mass515.01
IUPAC Name4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1Sc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H13ClF3N3OS2/c25-15-9-7-14(8-10-15)22(32)30-18-4-1-2-5-21(18)34-23-16(13-29)17(24(26,27)28)12-19(31-23)20-6-3-11-33-20/h1-12H,(H,30,32)
InChIKeySYOOHBJGWKXPSO-UHFFFAOYSA-N
XLogP7.76
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.97
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide with MolForge

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Related Compounds

2-(2-aminophenyl)sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726264
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3132914
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 24500982
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,6-difluorophenyl)acetamide
CID 1301831
2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 126478060
2-[(2,4-dichlorophenyl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4196410
(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-phenylacetamide
CID 97292555
N-butan-2-yl-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 43032379
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 5224028
ethyl (2R)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate
CID 1282692
6-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 5187615
2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15325355

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide (CID 2746781) is 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide is N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1Sc1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide?
The InChIKey is SYOOHBJGWKXPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF3N3OS2/c25-15-9-7-14(8-10-15)22(32)30-18-4-1-2-5-21(18)34-23-16(13-29)17(24(26,27)28)12-19(31-23)20-6-3-11-33-20/h1-12H,(H,30,32).
What are the key properties of 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide?
4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide has a molecular weight of 515.97 g/mol, XLogP of 7.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzamide is sourced from PubChem (CID 2746781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).