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

C16H16N4O2S2 — CID 647471

IUPACN-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C)c1
InChIInChI=1S/C16H16N4O2S2/c1-20-15(13-7-4-8-23-13)18-19-16(20)24-10-14(21)17-11-5-3-6-12(9-11)22-2/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyDUJROPQOWUUJIO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.28
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 647471) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID647471
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C)c1
InChIInChI=1S/C16H16N4O2S2/c1-20-15(13-7-4-8-23-13)18-19-16(20)24-10-14(21)17-11-5-3-6-12(9-11)22-2/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyDUJROPQOWUUJIO-UHFFFAOYSA-N
XLogP3.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 647471) is N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DUJROPQOWUUJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-20-15(13-7-4-8-23-13)18-19-16(20)24-10-14(21)17-11-5-3-6-12(9-11)22-2/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 647471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).