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

C17H15ClFN3OS — CID 162689285

IUPAC2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCc1nc(SCC(=O)N(C)c2ccc(F)cc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C17H15ClFN3OS/c1-10-14(8-20)17(21-11(2)16(10)18)24-9-15(23)22(3)13-6-4-12(19)5-7-13/h4-7H,9H2,1-3H3
InChIKeyDHDHGJDVDYRRBT-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.12
Rot. Bonds4

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

2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide (PubChem CID 162689285) has the molecular formula C17H15ClFN3OS and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide
PubChem CID162689285
Molecular FormulaC17H15ClFN3OS
Molecular Weight363.85 g/mol
Exact Mass363.06
IUPAC Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCc1nc(SCC(=O)N(C)c2ccc(F)cc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C17H15ClFN3OS/c1-10-14(8-20)17(21-11(2)16(10)18)24-9-15(23)22(3)13-6-4-12(19)5-7-13/h4-7H,9H2,1-3H3
InChIKeyDHDHGJDVDYRRBT-UHFFFAOYSA-N
XLogP4.12
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.12
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-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide (CID 162689285) is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide is Cc1nc(SCC(=O)N(C)c2ccc(F)cc2)c(C#N)c(C)c1Cl.
What is the InChIKey of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is DHDHGJDVDYRRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3OS/c1-10-14(8-20)17(21-11(2)16(10)18)24-9-15(23)22(3)13-6-4-12(19)5-7-13/h4-7H,9H2,1-3H3.
What are the key properties of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide?
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 363.85 g/mol, XLogP of 4.12, 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-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 162689285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).