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

C12H15N5O3S2 — CID 2294921

IUPAC2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C12H15N5O3S2/c1-2-10-15-12(17-16-10)21-7-11(18)14-8-3-5-9(6-4-8)22(13,19)20/h3-6H,2,7H2,1H3,(H,14,18)(H2,13,19,20)(H,15,16,17)
InChIKeyONVSPLHTWCRIPK-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.75
Rot. Bonds6

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

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2294921) has the molecular formula C12H15N5O3S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2294921
Molecular FormulaC12H15N5O3S2
Molecular Weight341.42 g/mol
Exact Mass341.06
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C12H15N5O3S2/c1-2-10-15-12(17-16-10)21-7-11(18)14-8-3-5-9(6-4-8)22(13,19)20/h3-6H,2,7H2,1H3,(H,14,18)(H2,13,19,20)(H,15,16,17)
InChIKeyONVSPLHTWCRIPK-UHFFFAOYSA-N
XLogP0.75
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 2294921) is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is CCc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is ONVSPLHTWCRIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S2/c1-2-10-15-12(17-16-10)21-7-11(18)14-8-3-5-9(6-4-8)22(13,19)20/h3-6H,2,7H2,1H3,(H,14,18)(H2,13,19,20)(H,15,16,17).
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2294921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).