N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H16N4O3S2 — CID 166204215

IUPACN-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(Sc2ccc(NC(=O)CSc3n[nH]c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C17H16N4O3S2/c1-24-12-4-8-14(9-5-12)26-13-6-2-11(3-7-13)18-15(22)10-25-17-19-16(23)20-21-17/h2-9H,10H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeyIQIZKUOMMRFXCJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.99
Rot. Bonds7

About N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 166204215) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID166204215
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(Sc2ccc(NC(=O)CSc3n[nH]c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C17H16N4O3S2/c1-24-12-4-8-14(9-5-12)26-13-6-2-11(3-7-13)18-15(22)10-25-17-19-16(23)20-21-17/h2-9H,10H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeyIQIZKUOMMRFXCJ-UHFFFAOYSA-N
XLogP2.99
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate
CID 23856518
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55920308
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1073988
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 3794006
N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 936817
4-[[2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 135449653
N-(4-fluorophenyl)-2-[[6-(4-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135889610
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 166204034
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 166204215) is N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1ccc(Sc2ccc(NC(=O)CSc3n[nH]c(=O)[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is IQIZKUOMMRFXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-24-12-4-8-14(9-5-12)26-13-6-2-11(3-7-13)18-15(22)10-25-17-19-16(23)20-21-17/h2-9H,10H2,1H3,(H,18,22)(H2,19,20,21,23).
What are the key properties of N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 166204215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).