2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide

C17H23N5O3S — CID 139655199

IUPAC2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide
SMILESCOCC(=O)Nc1nc(NC(C)c2ccc(C)c(OC)c2)nc(SC)n1
InChIInChI=1S/C17H23N5O3S/c1-10-6-7-12(8-13(10)25-4)11(2)18-15-20-16(19-14(23)9-24-3)22-17(21-15)26-5/h6-8,11H,9H2,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyIMRVLEHBCKTYPR-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.67
Rot. Bonds8

About 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide

2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 139655199) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide
PubChem CID139655199
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide
SMILESCOCC(=O)Nc1nc(NC(C)c2ccc(C)c(OC)c2)nc(SC)n1
InChIInChI=1S/C17H23N5O3S/c1-10-6-7-12(8-13(10)25-4)11(2)18-15-20-16(19-14(23)9-24-3)22-17(21-15)26-5/h6-8,11H,9H2,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyIMRVLEHBCKTYPR-UHFFFAOYSA-N
XLogP2.67
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide with MolForge

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Related Compounds

N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropanecarboxamide
CID 139655224
2-N-[1-(3-chloro-4-methoxyphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 15594743
2-N-[1-(4-methoxy-3-propan-2-ylphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 15594762
N-[(1R)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methoxyacetamide;2-methoxy-N-[(1R)-1-(3-methoxy-4-methylphenyl)ethyl]acetamide;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;2-methoxy-N-[(1R)-1-phenylethyl]acetamide
CID 160994076
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
(3S)-3-(3-methoxy-4-methylphenyl)butan-2-one
CID 143900211
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 79270541
N-[4-[1-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]ethyl]phenyl]propanamide
CID 55656016
1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one
CID 55296322
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide (CID 139655199) is 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide is COCC(=O)Nc1nc(NC(C)c2ccc(C)c(OC)c2)nc(SC)n1.
What is the InChIKey of 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is IMRVLEHBCKTYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-10-6-7-12(8-13(10)25-4)11(2)18-15-20-16(19-14(23)9-24-3)22-17(21-15)26-5/h6-8,11H,9H2,1-5H3,(H2,18,19,20,21,22,23).
What are the key properties of 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide?
2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[1-(3-methoxy-4-methylphenyl)ethylamino]-6-methylsulfanyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 139655199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).