2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide

C18H17N3O3S3 — CID 18572055

IUPAC2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O3S3/c1-25-15-7-5-6-13(10-15)19-17(22)11-14-12-26-18(20-14)21-27(23,24)16-8-3-2-4-9-16/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyRSYKMXSWBROOBG-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.85
Rot. Bonds7

About 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 18572055) has the molecular formula C18H17N3O3S3 and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID18572055
Molecular FormulaC18H17N3O3S3
Molecular Weight419.55 g/mol
Exact Mass419.04
IUPAC Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O3S3/c1-25-15-7-5-6-13(10-15)19-17(22)11-14-12-26-18(20-14)21-27(23,24)16-8-3-2-4-9-16/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyRSYKMXSWBROOBG-UHFFFAOYSA-N
XLogP3.85
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)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-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 18572055) is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)c1.
What is the InChIKey of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is RSYKMXSWBROOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S3/c1-25-15-7-5-6-13(10-15)19-17(22)11-14-12-26-18(20-14)21-27(23,24)16-8-3-2-4-9-16/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 18572055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).