3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide

C19H17N3O4S3 — CID 41323655

About 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide

3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide (PubChem CID 41323655) has the molecular formula C19H17N3O4S3 and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
• PubChem CID: 41323655
• Molecular Formula: C19H17N3O4S3
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.04
• IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
• SMILES: COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1
• InChI: InChI=1S/C19H17N3O4S3/c1-11-20-14-7-8-15-18(17(14)27-11)28-19(21-15)22-16(23)9-10-29(24,25)13-5-3-12(26-2)4-6-13/h3-8H,9-10H2,1-2H3,(H,21,22,23)
• InChIKey: SJIGHXDAXUJHPK-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 98.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide?

The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide (CID 41323655) is 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide.

What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide?

The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide?

The InChIKey is SJIGHXDAXUJHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S3/c1-11-20-14-7-8-15-18(17(14)27-11)28-19(21-15)22-16(23)9-10-29(24,25)13-5-3-12(26-2)4-6-13/h3-8H,9-10H2,1-2H3,(H,21,22,23).

What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide?

3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide has a molecular weight of 447.56 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide is sourced from PubChem (CID 41323655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).