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

C19H20N4O2S — CID 1317277

IUPACN-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C19H20N4O2S/c1-12-8-9-14(10-13(12)2)20-17(24)11-26-19-21-18(22-23-19)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyKGUYGVPLNVGOHT-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.83
Rot. Bonds6

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

N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 1317277) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID1317277
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C19H20N4O2S/c1-12-8-9-14(10-13(12)2)20-17(24)11-26-19-21-18(22-23-19)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyKGUYGVPLNVGOHT-UHFFFAOYSA-N
XLogP3.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 1317277) is N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is COc1ccccc1-c1nc(SCC(=O)Nc2ccc(C)c(C)c2)n[nH]1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is KGUYGVPLNVGOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-8-9-14(10-13(12)2)20-17(24)11-26-19-21-18(22-23-19)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1317277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).