2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

C16H23N5O3S — CID 24684613

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)CSc2n[nH]c(N)n2)cc1OCC
InChIInChI=1S/C16H23N5O3S/c1-3-23-12-6-5-11(9-13(12)24-4-2)7-8-18-14(22)10-25-16-19-15(17)20-21-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,22)(H3,17,19,20,21)
InChIKeyAFRLUBJBPSJNBK-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.64
Rot. Bonds10

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (PubChem CID 24684613) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
PubChem CID24684613
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)CSc2n[nH]c(N)n2)cc1OCC
InChIInChI=1S/C16H23N5O3S/c1-3-23-12-6-5-11(9-13(12)24-4-2)7-8-18-14(22)10-25-16-19-15(17)20-21-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,22)(H3,17,19,20,21)
InChIKeyAFRLUBJBPSJNBK-UHFFFAOYSA-N
XLogP1.64
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (CID 24684613) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide is CCOc1ccc(CCNC(=O)CSc2n[nH]c(N)n2)cc1OCC.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The InChIKey is AFRLUBJBPSJNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-3-23-12-6-5-11(9-13(12)24-4-2)7-8-18-14(22)10-25-16-19-15(17)20-21-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,22)(H3,17,19,20,21).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 1.64, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 24684613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).