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

C16H15N5O2S — CID 2406421

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C16H15N5O2S/c17-15-19-16(21-20-15)24-10-14(22)18-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,22)(H3,17,19,20,21)
InChIKeyUGPJAZRJKVSNSQ-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.91
Rot. Bonds6

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 2406421) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
PubChem CID2406421
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C16H15N5O2S/c17-15-19-16(21-20-15)24-10-14(22)18-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,22)(H3,17,19,20,21)
InChIKeyUGPJAZRJKVSNSQ-UHFFFAOYSA-N
XLogP2.91
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)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-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide (CID 2406421) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide is Nc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is UGPJAZRJKVSNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-15-19-16(21-20-15)24-10-14(22)18-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-9H,10H2,(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-(4-phenoxyphenyl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 341.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 2406421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).