N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide

C15H15N3O3S — CID 3829670

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide
SMILESCc1cc(C)nc(SCC(=O)NC(=O)c2ccccc2O)n1
InChIInChI=1S/C15H15N3O3S/c1-9-7-10(2)17-15(16-9)22-8-13(20)18-14(21)11-5-3-4-6-12(11)19/h3-7,19H,8H2,1-2H3,(H,18,20,21)
InChIKeyWGKMMFOYQMUVCA-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.85
Rot. Bonds4

About N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide

N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide (PubChem CID 3829670) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide
PubChem CID3829670
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide
SMILESCc1cc(C)nc(SCC(=O)NC(=O)c2ccccc2O)n1
InChIInChI=1S/C15H15N3O3S/c1-9-7-10(2)17-15(16-9)22-8-13(20)18-14(21)11-5-3-4-6-12(11)19/h3-7,19H,8H2,1-2H3,(H,18,20,21)
InChIKeyWGKMMFOYQMUVCA-UHFFFAOYSA-N
XLogP1.85
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide (CID 3829670) is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide is Cc1cc(C)nc(SCC(=O)NC(=O)c2ccccc2O)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide?
The InChIKey is WGKMMFOYQMUVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-7-10(2)17-15(16-9)22-8-13(20)18-14(21)11-5-3-4-6-12(11)19/h3-7,19H,8H2,1-2H3,(H,18,20,21).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide has a molecular weight of 317.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzamide is sourced from PubChem (CID 3829670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).