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

C15H12ClF3N2OS — CID 134007808

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc1
InChIInChI=1S/C15H12ClF3N2OS/c1-9-5-6-13(20-7-9)23-8-12(22)21-14-10(15(17,18)19)3-2-4-11(14)16/h2-7H,8H2,1H3,(H,21,22)
InChIKeyCVERCFDLIPKZOA-UHFFFAOYSA-N
MW360.79 g/mol
LogP4.79
Rot. Bonds4

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

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 134007808) has the molecular formula C15H12ClF3N2OS and a molecular weight of 360.79 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID134007808
Molecular FormulaC15H12ClF3N2OS
Molecular Weight360.79 g/mol
Exact Mass360.03
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc1
InChIInChI=1S/C15H12ClF3N2OS/c1-9-5-6-13(20-7-9)23-8-12(22)21-14-10(15(17,18)19)3-2-4-11(14)16/h2-7H,8H2,1H3,(H,21,22)
InChIKeyCVERCFDLIPKZOA-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-3-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
CID 60561517
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16541619
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42551105
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 112815585
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide
CID 55583835
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112779858
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134003648
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide (CID 134007808) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide is Cc1ccc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is CVERCFDLIPKZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2OS/c1-9-5-6-13(20-7-9)23-8-12(22)21-14-10(15(17,18)19)3-2-4-11(14)16/h2-7H,8H2,1H3,(H,21,22).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 360.79 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 134007808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).