N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide

C18H15ClF3N3O2S — CID 1288114

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C#N
InChIInChI=1S/C18H15ClF3N3O2S/c1-10-5-11(8-27-2)13(7-23)17(24-10)28-9-16(26)25-15-6-12(18(20,21)22)3-4-14(15)19/h3-6H,8-9H2,1-2H3,(H,25,26)
InChIKeySCZGUECREFTXNV-UHFFFAOYSA-N
MW429.85 g/mol
LogP4.81
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide (PubChem CID 1288114) has the molecular formula C18H15ClF3N3O2S and a molecular weight of 429.85 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
PubChem CID1288114
Molecular FormulaC18H15ClF3N3O2S
Molecular Weight429.85 g/mol
Exact Mass429.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
SMILESCOCc1cc(C)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C#N
InChIInChI=1S/C18H15ClF3N3O2S/c1-10-5-11(8-27-2)13(7-23)17(24-10)28-9-16(26)25-15-6-12(18(20,21)22)3-4-14(15)19/h3-6H,8-9H2,1-2H3,(H,25,26)
InChIKeySCZGUECREFTXNV-UHFFFAOYSA-N
XLogP4.81
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 1210911
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2234099
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 126185717
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 6459560
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3122398
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 5302651
N-(2-benzoylphenyl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide;methane;molecular hydrogen
CID 158898943
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2229878
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 24631082
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126375417
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
CID 17186377
N-[(2S)-butan-2-yl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
CID 40501036

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide (CID 1288114) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide is COCc1cc(C)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C#N.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is SCZGUECREFTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2S/c1-10-5-11(8-27-2)13(7-23)17(24-10)28-9-16(26)25-15-6-12(18(20,21)22)3-4-14(15)19/h3-6H,8-9H2,1-2H3,(H,25,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 429.85 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 1288114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).