2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide

C15H20N4O2S — CID 6489551

IUPAC2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2nnc(SC)n2C)cc1
InChIInChI=1S/C15H20N4O2S/c1-4-21-12-7-5-11(6-8-12)9-14(20)16-10-13-17-18-15(22-3)19(13)2/h5-8H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyQHOXFVVMAKVYFL-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.79
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide

2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 6489551) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID6489551
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2nnc(SC)n2C)cc1
InChIInChI=1S/C15H20N4O2S/c1-4-21-12-7-5-11(6-8-12)9-14(20)16-10-13-17-18-15(22-3)19(13)2/h5-8H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyQHOXFVVMAKVYFL-UHFFFAOYSA-N
XLogP1.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 126162922
ethyl 4-[[2-[[5-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 126363412
N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 126350251
N-[[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 2221899
2-(4-methoxyphenyl)-N-[[4-methyl-5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
CID 126158774
N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 126177527
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
2-(4-methoxyphenyl)-N-[[4-methyl-5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
CID 126182110
N-[[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 126160181
(2R)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 122560884
N-[[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 126173900
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 6489551) is 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide is CCOc1ccc(CC(=O)NCc2nnc(SC)n2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is QHOXFVVMAKVYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-21-12-7-5-11(6-8-12)9-14(20)16-10-13-17-18-15(22-3)19(13)2/h5-8H,4,9-10H2,1-3H3,(H,16,20).
What are the key properties of 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 320.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 6489551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).