2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide

C19H18N4OS2 — CID 155542708

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(Sc3cccnc3)cc2)n1
InChIInChI=1S/C19H18N4OS2/c1-13-10-14(2)22-19(21-13)25-12-18(24)23-15-5-7-16(8-6-15)26-17-4-3-9-20-11-17/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyWGNLVYIPUQPRRK-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.37
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide (PubChem CID 155542708) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide
PubChem CID155542708
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(Sc3cccnc3)cc2)n1
InChIInChI=1S/C19H18N4OS2/c1-13-10-14(2)22-19(21-13)25-12-18(24)23-15-5-7-16(8-6-15)26-17-4-3-9-20-11-17/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyWGNLVYIPUQPRRK-UHFFFAOYSA-N
XLogP4.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide (CID 155542708) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2ccc(Sc3cccnc3)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide?
The InChIKey is WGNLVYIPUQPRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-13-10-14(2)22-19(21-13)25-12-18(24)23-15-5-7-16(8-6-15)26-17-4-3-9-20-11-17/h3-11H,12H2,1-2H3,(H,23,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide has a molecular weight of 382.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-pyridin-3-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 155542708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).