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

C15H12ClF3N2O2S — CID 40955370

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H12ClF3N2O2S/c1-23-11-4-2-3-10(6-11)21-13(22)8-24-14-12(16)5-9(7-20-14)15(17,18)19/h2-7H,8H2,1H3,(H,21,22)
InChIKeyFCVPNELZWJCBLZ-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.49
Rot. Bonds5

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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 40955370) has the molecular formula C15H12ClF3N2O2S and a molecular weight of 376.79 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide
PubChem CID40955370
Molecular FormulaC15H12ClF3N2O2S
Molecular Weight376.79 g/mol
Exact Mass376.03
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H12ClF3N2O2S/c1-23-11-4-2-3-10(6-11)21-13(22)8-24-14-12(16)5-9(7-20-14)15(17,18)19/h2-7H,8H2,1H3,(H,21,22)
InChIKeyFCVPNELZWJCBLZ-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 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide (CID 40955370) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is FCVPNELZWJCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2S/c1-23-11-4-2-3-10(6-11)21-13(22)8-24-14-12(16)5-9(7-20-14)15(17,18)19/h2-7H,8H2,1H3,(H,21,22).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide 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 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 40955370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).