2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide

C23H26N6O2S — CID 126397519

IUPAC2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H26N6O2S/c1-16-8-9-17(2)19(14-16)25-20(30)15-32-23-27-21(24-18-6-4-3-5-7-18)26-22(28-23)29-10-12-31-13-11-29/h3-9,14H,10-13,15H2,1-2H3,(H,25,30)(H,24,26,27,28)
InChIKeyUIZDRPNEWCDIGY-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.80
Rot. Bonds7

About 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 126397519) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID126397519
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H26N6O2S/c1-16-8-9-17(2)19(14-16)25-20(30)15-32-23-27-21(24-18-6-4-3-5-7-18)26-22(28-23)29-10-12-31-13-11-29/h3-9,14H,10-13,15H2,1-2H3,(H,25,30)(H,24,26,27,28)
InChIKeyUIZDRPNEWCDIGY-UHFFFAOYSA-N
XLogP3.80
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (CID 126397519) is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is UIZDRPNEWCDIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-16-8-9-17(2)19(14-16)25-20(30)15-32-23-27-21(24-18-6-4-3-5-7-18)26-22(28-23)29-10-12-31-13-11-29/h3-9,14H,10-13,15H2,1-2H3,(H,25,30)(H,24,26,27,28).
What are the key properties of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 450.57 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 126397519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).