2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide

C26H26N6O2S — CID 2027718

IUPAC2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(Nc3ccccc3C)nc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C26H26N6O2S/c1-17-8-4-6-10-21(17)28-24-30-25(29-22-11-7-5-9-18(22)2)32-26(31-24)35-16-23(33)27-19-12-14-20(34-3)15-13-19/h4-15H,16H2,1-3H3,(H,27,33)(H2,28,29,30,31,32)
InChIKeyWUYAUSJXYVDECN-UHFFFAOYSA-N
MW486.60 g/mol
LogP5.72
Rot. Bonds9

About 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide

2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 2027718) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID2027718
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(Nc3ccccc3C)nc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C26H26N6O2S/c1-17-8-4-6-10-21(17)28-24-30-25(29-22-11-7-5-9-18(22)2)32-26(31-24)35-16-23(33)27-19-12-14-20(34-3)15-13-19/h4-15H,16H2,1-3H3,(H,27,33)(H2,28,29,30,31,32)
InChIKeyWUYAUSJXYVDECN-UHFFFAOYSA-N
XLogP5.72
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
N-(4-methoxyphenyl)-3-oxobutanamide;N-(2-methylphenyl)-3-oxobutanamide
CID 121282896
N-(4-methoxyphenyl)-2-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 967721
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256626
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 21371571
2-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 21371621
2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 21371554
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1301033

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 2027718) is 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(Nc3ccccc3C)nc(Nc3ccccc3C)n2)cc1.
What is the InChIKey of 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is WUYAUSJXYVDECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-17-8-4-6-10-21(17)28-24-30-25(29-22-11-7-5-9-18(22)2)32-26(31-24)35-16-23(33)27-19-12-14-20(34-3)15-13-19/h4-15H,16H2,1-3H3,(H,27,33)(H2,28,29,30,31,32).
What are the key properties of 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 486.60 g/mol, XLogP of 5.72, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2027718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).