2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

C20H25N5O3S2 — CID 24631030

IUPAC2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc(C)nc(C)c2C#N)c1
InChIInChI=1S/C20H25N5O3S2/c1-6-25(7-2)30(27,28)16-9-8-13(3)18(10-16)24-19(26)12-29-20-17(11-21)14(4)22-15(5)23-20/h8-10H,6-7,12H2,1-5H3,(H,24,26)
InChIKeyOQKKJLAESQPJAI-UHFFFAOYSA-N
MW447.59 g/mol
LogP3.03
Rot. Bonds8

About 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 24631030) has the molecular formula C20H25N5O3S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID24631030
Molecular FormulaC20H25N5O3S2
Molecular Weight447.59 g/mol
Exact Mass447.14
IUPAC Name2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc(C)nc(C)c2C#N)c1
InChIInChI=1S/C20H25N5O3S2/c1-6-25(7-2)30(27,28)16-9-8-13(3)18(10-16)24-19(26)12-29-20-17(11-21)14(4)22-15(5)23-20/h8-10H,6-7,12H2,1-5H3,(H,24,26)
InChIKeyOQKKJLAESQPJAI-UHFFFAOYSA-N
XLogP3.03
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24652112
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 24631033
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 30028187
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
CID 4810842
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
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 24631039

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (CID 24631030) is 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc(C)nc(C)c2C#N)c1.
What is the InChIKey of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is OQKKJLAESQPJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S2/c1-6-25(7-2)30(27,28)16-9-8-13(3)18(10-16)24-19(26)12-29-20-17(11-21)14(4)22-15(5)23-20/h8-10H,6-7,12H2,1-5H3,(H,24,26).
What are the key properties of 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 447.59 g/mol, XLogP of 3.03, 8 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-(diethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 24631030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).