2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C18H18N6O3S2 — CID 2196065

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1
InChIInChI=1S/C18H18N6O3S2/c1-12-10-13(2)22-18(21-12)28-11-16(25)23-14-4-6-15(7-5-14)29(26,27)24-17-19-8-3-9-20-17/h3-10H,11H2,1-2H3,(H,23,25)(H,19,20,24)
InChIKeyNMLYZNAPKLLSGR-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.42
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 2196065) has the molecular formula C18H18N6O3S2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID2196065
Molecular FormulaC18H18N6O3S2
Molecular Weight430.52 g/mol
Exact Mass430.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1
InChIInChI=1S/C18H18N6O3S2/c1-12-10-13(2)22-18(21-12)28-11-16(25)23-14-4-6-15(7-5-14)29(26,27)24-17-19-8-3-9-20-17/h3-10H,11H2,1-2H3,(H,23,25)(H,19,20,24)
InChIKeyNMLYZNAPKLLSGR-UHFFFAOYSA-N
XLogP2.42
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 2196065) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is NMLYZNAPKLLSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S2/c1-12-10-13(2)22-18(21-12)28-11-16(25)23-14-4-6-15(7-5-14)29(26,27)24-17-19-8-3-9-20-17/h3-10H,11H2,1-2H3,(H,23,25)(H,19,20,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 430.52 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2196065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).