2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

C15H18N2OS2 — CID 47026318

IUPAC2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSCc2cccs2)c(C)n1
InChIInChI=1S/C15H18N2OS2/c1-10-7-11(2)16-12(3)15(10)17-14(18)9-19-8-13-5-4-6-20-13/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyBYFRICRSVJIGTG-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.94
Rot. Bonds5

About 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (PubChem CID 47026318) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
PubChem CID47026318
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSCc2cccs2)c(C)n1
InChIInChI=1S/C15H18N2OS2/c1-10-7-11(2)16-12(3)15(10)17-14(18)9-19-8-13-5-4-6-20-13/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyBYFRICRSVJIGTG-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (CID 47026318) is 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is Cc1cc(C)c(NC(=O)CSCc2cccs2)c(C)n1.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The InChIKey is BYFRICRSVJIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10-7-11(2)16-12(3)15(10)17-14(18)9-19-8-13-5-4-6-20-13/h4-7H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide has a molecular weight of 306.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is sourced from PubChem (CID 47026318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).