N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide

C14H13Cl2N3OS2 — CID 1095831

IUPACN-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide
SMILESCSc1nc(C)cc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl2N3OS2/c1-8-5-13(19-14(17-8)21-2)22-7-12(20)18-11-4-3-9(15)6-10(11)16/h3-6H,7H2,1-2H3,(H,18,20)
InChIKeyKIPZXIRXRZSWMG-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.54
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide

N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 1095831) has the molecular formula C14H13Cl2N3OS2 and a molecular weight of 374.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide
PubChem CID1095831
Molecular FormulaC14H13Cl2N3OS2
Molecular Weight374.32 g/mol
Exact Mass372.99
IUPAC NameN-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide
SMILESCSc1nc(C)cc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl2N3OS2/c1-8-5-13(19-14(17-8)21-2)22-7-12(20)18-11-4-3-9(15)6-10(11)16/h3-6H,7H2,1-2H3,(H,18,20)
InChIKeyKIPZXIRXRZSWMG-UHFFFAOYSA-N
XLogP4.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide (CID 1095831) is N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide is CSc1nc(C)cc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is KIPZXIRXRZSWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3OS2/c1-8-5-13(19-14(17-8)21-2)22-7-12(20)18-11-4-3-9(15)6-10(11)16/h3-6H,7H2,1-2H3,(H,18,20).
What are the key properties of N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide?
N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 374.32 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1095831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).