N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide

C15H12ClF3N2O2S — CID 35040769

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H12ClF3N2O2S/c1-23-10-3-2-4-11(6-10)24-8-13(22)21-14-12(16)5-9(7-20-14)15(17,18)19/h2-7H,8H2,1H3,(H,20,21,22)
InChIKeyNXIXPYFVGDCQNV-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.49
Rot. Bonds5

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 35040769) has the molecular formula C15H12ClF3N2O2S and a molecular weight of 376.79 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID35040769
Molecular FormulaC15H12ClF3N2O2S
Molecular Weight376.79 g/mol
Exact Mass376.03
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H12ClF3N2O2S/c1-23-10-3-2-4-11(6-10)24-8-13(22)21-14-12(16)5-9(7-20-14)15(17,18)19/h2-7H,8H2,1H3,(H,20,21,22)
InChIKeyNXIXPYFVGDCQNV-UHFFFAOYSA-N
XLogP4.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide (CID 35040769) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is NXIXPYFVGDCQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2S/c1-23-10-3-2-4-11(6-10)24-8-13(22)21-14-12(16)5-9(7-20-14)15(17,18)19/h2-7H,8H2,1H3,(H,20,21,22).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 376.79 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 35040769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).