2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide

C15H16N2O2S — CID 787495

IUPAC2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1cccc(C)n1
InChIInChI=1S/C15H16N2O2S/c1-10-5-4-6-14(16-10)17-15(18)12-8-7-11(20-3)9-13(12)19-2/h4-9H,1-3H3,(H,16,17,18)
InChIKeyPHZLUOIEBZHRQC-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.37
Rot. Bonds4

About 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide

2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide (PubChem CID 787495) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide
PubChem CID787495
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1cccc(C)n1
InChIInChI=1S/C15H16N2O2S/c1-10-5-4-6-14(16-10)17-15(18)12-8-7-11(20-3)9-13(12)19-2/h4-9H,1-3H3,(H,16,17,18)
InChIKeyPHZLUOIEBZHRQC-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide (CID 787495) is 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1cccc(C)n1.
What is the InChIKey of 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide?
The InChIKey is PHZLUOIEBZHRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-5-4-6-14(16-10)17-15(18)12-8-7-11(20-3)9-13(12)19-2/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide?
2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide has a molecular weight of 288.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 787495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).