2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide

C20H22N6O2S — CID 8970382

IUPAC2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSCc2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C20H22N6O2S/c1-28-16-9-5-6-14(10-16)11-22-18(27)13-29-12-17-24-19(21)26-20(25-17)23-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,22,27)(H3,21,23,24,25,26)
InChIKeyTVRVJQDBOKGFCE-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.76
Rot. Bonds9

About 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 8970382) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID8970382
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSCc2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C20H22N6O2S/c1-28-16-9-5-6-14(10-16)11-22-18(27)13-29-12-17-24-19(21)26-20(25-17)23-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,22,27)(H3,21,23,24,25,26)
InChIKeyTVRVJQDBOKGFCE-UHFFFAOYSA-N
XLogP2.76
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 35041524
N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769045
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(2S)-butan-2-yl]acetamide
CID 8970304
2-(3-hydroxypropylsulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 66129150
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-methyl-N-phenylacetamide
CID 8970181
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730
2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 66225874
2-(2-anilino-1,3-thiazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 30940483
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methoxyphenyl)acetate
CID 8792735
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 8970382) is 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSCc2nc(N)nc(Nc3ccccc3)n2)c1.
What is the InChIKey of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is TVRVJQDBOKGFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-28-16-9-5-6-14(10-16)11-22-18(27)13-29-12-17-24-19(21)26-20(25-17)23-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,22,27)(H3,21,23,24,25,26).
What are the key properties of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 2.76, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8970382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).