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

C22H24N6O2S — CID 1258280

IUPAC2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H24N6O2S/c1-16-7-5-6-10-18(16)24-19(29)15-31-22-26-20(23-17-8-3-2-4-9-17)25-21(27-22)28-11-13-30-14-12-28/h2-10H,11-15H2,1H3,(H,24,29)(H,23,25,26,27)
InChIKeyGHEYXICGZWUMLK-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.49
Rot. Bonds7

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

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 1258280) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID1258280
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H24N6O2S/c1-16-7-5-6-10-18(16)24-19(29)15-31-22-26-20(23-17-8-3-2-4-9-17)25-21(27-22)28-11-13-30-14-12-28/h2-10H,11-15H2,1H3,(H,24,29)(H,23,25,26,27)
InChIKeyGHEYXICGZWUMLK-UHFFFAOYSA-N
XLogP3.49
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.49
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-methylphenyl)acetamide?
The IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide (CID 1258280) is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is GHEYXICGZWUMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-16-7-5-6-10-18(16)24-19(29)15-31-22-26-20(23-17-8-3-2-4-9-17)25-21(27-22)28-11-13-30-14-12-28/h2-10H,11-15H2,1H3,(H,24,29)(H,23,25,26,27).
What are the key properties of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide?
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 436.54 g/mol, XLogP of 3.49, 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-methylphenyl)acetamide is sourced from PubChem (CID 1258280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).