2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide

C16H18N2OS — CID 162689286

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCc1cc(C)nc(SCC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C16H18N2OS/c1-12-9-13(2)17-15(10-12)20-11-16(19)18(3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyRZNFSXGYRGUMPP-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.45
Rot. Bonds4

About 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide (PubChem CID 162689286) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
PubChem CID162689286
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCc1cc(C)nc(SCC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C16H18N2OS/c1-12-9-13(2)17-15(10-12)20-11-16(19)18(3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyRZNFSXGYRGUMPP-UHFFFAOYSA-N
XLogP3.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide (CID 162689286) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide is Cc1cc(C)nc(SCC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
The InChIKey is RZNFSXGYRGUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12-9-13(2)17-15(10-12)20-11-16(19)18(3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide has a molecular weight of 286.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 162689286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).