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

C17H17N5O4S2 — CID 4694211

IUPAC2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
SMILESCOc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H17N5O4S2/c1-26-15-8-3-2-7-14(15)22-11-19-21-17(22)27-10-16(23)20-12-5-4-6-13(9-12)28(18,24)25/h2-9,11H,10H2,1H3,(H,20,23)(H2,18,24,25)
InChIKeyNPJDZIAOPBUZGS-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.65
Rot. Bonds7

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

2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 4694211) has the molecular formula C17H17N5O4S2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID4694211
Molecular FormulaC17H17N5O4S2
Molecular Weight419.49 g/mol
Exact Mass419.07
IUPAC Name2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
SMILESCOc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H17N5O4S2/c1-26-15-8-3-2-7-14(15)22-11-19-21-17(22)27-10-16(23)20-12-5-4-6-13(9-12)28(18,24)25/h2-9,11H,10H2,1H3,(H,20,23)(H2,18,24,25)
InChIKeyNPJDZIAOPBUZGS-UHFFFAOYSA-N
XLogP1.65
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide (CID 4694211) is 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide is COc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is NPJDZIAOPBUZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S2/c1-26-15-8-3-2-7-14(15)22-11-19-21-17(22)27-10-16(23)20-12-5-4-6-13(9-12)28(18,24)25/h2-9,11H,10H2,1H3,(H,20,23)(H2,18,24,25).
What are the key properties of 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide?
2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 419.49 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4694211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).