2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

C19H23N5O3S2 — CID 24652112

IUPAC2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1nc(C)c(C#N)c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)n1
InChIInChI=1S/C19H23N5O3S2/c1-11-7-15(29(26,27)24(5)6)8-17(12(11)2)23-18(25)10-28-19-16(9-20)13(3)21-14(4)22-19/h7-8H,10H2,1-6H3,(H,23,25)
InChIKeyVPLBZPSELVOEIQ-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.56
Rot. Bonds6

About 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (PubChem CID 24652112) has the molecular formula C19H23N5O3S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
PubChem CID24652112
Molecular FormulaC19H23N5O3S2
Molecular Weight433.56 g/mol
Exact Mass433.12
IUPAC Name2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1nc(C)c(C#N)c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)n1
InChIInChI=1S/C19H23N5O3S2/c1-11-7-15(29(26,27)24(5)6)8-17(12(11)2)23-18(25)10-28-19-16(9-20)13(3)21-14(4)22-19/h7-8H,10H2,1-6H3,(H,23,25)
InChIKeyVPLBZPSELVOEIQ-UHFFFAOYSA-N
XLogP2.56
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 24631030
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 24631033
2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 34079032
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24602003
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
N-(4-chlorophenyl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227919
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 33227575
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 33227721
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24630975
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 24631039
3-[(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
CID 33229043
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 24631051

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The IUPAC name of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (CID 24652112) is 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.
What is the SMILES notation for 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The canonical SMILES for 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is Cc1nc(C)c(C#N)c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)n1.
What is the InChIKey of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The InChIKey is VPLBZPSELVOEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S2/c1-11-7-15(29(26,27)24(5)6)8-17(12(11)2)23-18(25)10-28-19-16(9-20)13(3)21-14(4)22-19/h7-8H,10H2,1-6H3,(H,23,25).
What are the key properties of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide has a molecular weight of 433.56 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is sourced from PubChem (CID 24652112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).