N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide

C17H18N4O2S2 — CID 25465037

IUPACN-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(-n2c(CNC(=O)Cc3ccsc3)nnc2SC)cc1
InChIInChI=1S/C17H18N4O2S2/c1-23-14-5-3-13(4-6-14)21-15(19-20-17(21)24-2)10-18-16(22)9-12-7-8-25-11-12/h3-8,11H,9-10H2,1-2H3,(H,18,22)
InChIKeyMGPQZZWLYZGLJI-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.92
Rot. Bonds7

About N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide

N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 25465037) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID25465037
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc(-n2c(CNC(=O)Cc3ccsc3)nnc2SC)cc1
InChIInChI=1S/C17H18N4O2S2/c1-23-14-5-3-13(4-6-14)21-15(19-20-17(21)24-2)10-18-16(22)9-12-7-8-25-11-12/h3-8,11H,9-10H2,1-2H3,(H,18,22)
InChIKeyMGPQZZWLYZGLJI-UHFFFAOYSA-N
XLogP2.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
CID 55688609
N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]furan-3-carboxamide
CID 42166338
N-[[5-(2-chloroprop-2-enylsulfanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 42432619
N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]oxolane-2-carboxamide
CID 45228553
N-[[5-ethylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CID 3673164
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 44914305
N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 4150332
5-(methoxymethyl)-N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
CID 42434980
N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 42472942
N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CID 5048756
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CID 44914340
N-[(4-methoxyphenyl)methyl]-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2671205

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide (CID 25465037) is N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide is COc1ccc(-n2c(CNC(=O)Cc3ccsc3)nnc2SC)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is MGPQZZWLYZGLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-23-14-5-3-13(4-6-14)21-15(19-20-17(21)24-2)10-18-16(22)9-12-7-8-25-11-12/h3-8,11H,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 374.49 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 25465037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).