N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C11H20N4O4S — CID 9375825

IUPACN-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCCn1c(SCC(=O)NCCOC)n[nH]c1=O
InChIInChI=1S/C11H20N4O4S/c1-18-6-3-5-15-10(17)13-14-11(15)20-8-9(16)12-4-7-19-2/h3-8H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyCPBSXIICMFDNAV-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.54
Rot. Bonds10

About N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 9375825) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID9375825
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCCn1c(SCC(=O)NCCOC)n[nH]c1=O
InChIInChI=1S/C11H20N4O4S/c1-18-6-3-5-15-10(17)13-14-11(15)20-8-9(16)12-4-7-19-2/h3-8H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyCPBSXIICMFDNAV-UHFFFAOYSA-N
XLogP-0.54
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 9375825) is N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is COCCCn1c(SCC(=O)NCCOC)n[nH]c1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is CPBSXIICMFDNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-18-6-3-5-15-10(17)13-14-11(15)20-8-9(16)12-4-7-19-2/h3-8H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 304.37 g/mol, XLogP of -0.54, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 9375825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).