4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide

C16H18N4O3S3 — CID 8575473

IUPAC4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
SMILESCCn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccs1
InChIInChI=1S/C16H18N4O3S3/c1-2-20-15(14-4-3-10-24-14)18-19-16(20)25-11-9-23-12-5-7-13(8-6-12)26(17,21)22/h3-8,10H,2,9,11H2,1H3,(H2,17,21,22)
InChIKeyATBQLOJSGHEAMM-UHFFFAOYSA-N
MW410.55 g/mol
LogP2.85
Rot. Bonds8

About 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide

4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide (PubChem CID 8575473) has the molecular formula C16H18N4O3S3 and a molecular weight of 410.55 g/mol. Its IUPAC name is 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
PubChem CID8575473
Molecular FormulaC16H18N4O3S3
Molecular Weight410.55 g/mol
Exact Mass410.05
IUPAC Name4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
SMILESCCn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccs1
InChIInChI=1S/C16H18N4O3S3/c1-2-20-15(14-4-3-10-24-14)18-19-16(20)25-11-9-23-12-5-7-13(8-6-12)26(17,21)22/h3-8,10H,2,9,11H2,1H3,(H2,17,21,22)
InChIKeyATBQLOJSGHEAMM-UHFFFAOYSA-N
XLogP2.85
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
CID 17418415
4-ethyl-3-[2-(3-methylphenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
CID 112774267
3-[2-(4-propoxyphenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 55308607
4-ethyl-3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole
CID 112774282
4-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
CID 61468859
4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylbutan-2-ol
CID 111537007
4-[2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide
CID 34436299
2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25046288
methyl (2S)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate
CID 41075426
4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide
CID 17418416
2-[(4-chlorophenoxy)methyl]-4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 24592919
1-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 60536255

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide (CID 8575473) is 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide is CCn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccs1.
What is the InChIKey of 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide?
The InChIKey is ATBQLOJSGHEAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S3/c1-2-20-15(14-4-3-10-24-14)18-19-16(20)25-11-9-23-12-5-7-13(8-6-12)26(17,21)22/h3-8,10H,2,9,11H2,1H3,(H2,17,21,22).
What are the key properties of 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide?
4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide has a molecular weight of 410.55 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 8575473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).