2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C23H24N6O3S2 — CID 25038387

IUPAC2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCCc1ccc(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)n1
InChIInChI=1S/C23H24N6O3S2/c1-4-5-18-7-6-17(13-24)22(28-18)33-14-21(30)27-19-8-10-20(11-9-19)34(31,32)29-23-25-15(2)12-16(3)26-23/h6-12H,4-5,14H2,1-3H3,(H,27,30)(H,25,26,29)
InChIKeyLAXMTAMIZLKQQV-UHFFFAOYSA-N
MW496.62 g/mol
LogP3.84
Rot. Bonds9

About 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 25038387) has the molecular formula C23H24N6O3S2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID25038387
Molecular FormulaC23H24N6O3S2
Molecular Weight496.62 g/mol
Exact Mass496.14
IUPAC Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCCc1ccc(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)n1
InChIInChI=1S/C23H24N6O3S2/c1-4-5-18-7-6-17(13-24)22(28-18)33-14-21(30)27-19-8-10-20(11-9-19)34(31,32)29-23-25-15(2)12-16(3)26-23/h6-12H,4-5,14H2,1-3H3,(H,27,30)(H,25,26,29)
InChIKeyLAXMTAMIZLKQQV-UHFFFAOYSA-N
XLogP3.84
TPSA137.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 25038387) is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)n1.
What is the InChIKey of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is LAXMTAMIZLKQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S2/c1-4-5-18-7-6-17(13-24)22(28-18)33-14-21(30)27-19-8-10-20(11-9-19)34(31,32)29-23-25-15(2)12-16(3)26-23/h6-12H,4-5,14H2,1-3H3,(H,27,30)(H,25,26,29).
What are the key properties of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 496.62 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 25038387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).