3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide

C20H23N3O3S3 — CID 42575070

About 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide

3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide (PubChem CID 42575070) has the molecular formula C20H23N3O3S3 and a molecular weight of 449.62 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
• PubChem CID: 42575070
• Molecular Formula: C20H23N3O3S3
• Molecular Weight: 449.62 g/mol
• Exact Mass: 449.09
• IUPAC Name: 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
• SMILES: CNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1
• InChI: InChI=1S/C20H23N3O3S3/c1-14-23-18(13-27-14)19-9-6-16(28-19)11-12-22-20(24)10-5-15-3-7-17(8-4-15)29(25,26)21-2/h3-4,6-9,13,21H,5,10-12H2,1-2H3,(H,22,24)
• InChIKey: TZFBCJLBTKCLLB-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.62
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide?

The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide (CID 42575070) is 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide.

What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide?

The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1.

What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide?

The InChIKey is TZFBCJLBTKCLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S3/c1-14-23-18(13-27-14)19-9-6-16(28-19)11-12-22-20(24)10-5-15-3-7-17(8-4-15)29(25,26)21-2/h3-4,6-9,13,21H,5,10-12H2,1-2H3,(H,22,24).

What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide?

3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide has a molecular weight of 449.62 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide is sourced from PubChem (CID 42575070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).