2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide

C17H14ClF2N3OS — CID 162689293

IUPAC2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide
SMILESCc1nc(SCC(=O)N(C)c2ccc(F)cc2F)c(C#N)c(C)c1Cl
InChIInChI=1S/C17H14ClF2N3OS/c1-9-12(7-21)17(22-10(2)16(9)18)25-8-15(24)23(3)14-5-4-11(19)6-13(14)20/h4-6H,8H2,1-3H3
InChIKeyYVHSMZJMOYADJG-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.26
Rot. Bonds4

About 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide

2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide (PubChem CID 162689293) has the molecular formula C17H14ClF2N3OS and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide
PubChem CID162689293
Molecular FormulaC17H14ClF2N3OS
Molecular Weight381.84 g/mol
Exact Mass381.05
IUPAC Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide
SMILESCc1nc(SCC(=O)N(C)c2ccc(F)cc2F)c(C#N)c(C)c1Cl
InChIInChI=1S/C17H14ClF2N3OS/c1-9-12(7-21)17(22-10(2)16(9)18)25-8-15(24)23(3)14-5-4-11(19)6-13(14)20/h4-6H,8H2,1-3H3
InChIKeyYVHSMZJMOYADJG-UHFFFAOYSA-N
XLogP4.26
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide (CID 162689293) is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide is Cc1nc(SCC(=O)N(C)c2ccc(F)cc2F)c(C#N)c(C)c1Cl.
What is the InChIKey of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide?
The InChIKey is YVHSMZJMOYADJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3OS/c1-9-12(7-21)17(22-10(2)16(9)18)25-8-15(24)23(3)14-5-4-11(19)6-13(14)20/h4-6H,8H2,1-3H3.
What are the key properties of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide?
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide has a molecular weight of 381.84 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 162689293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).