2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide

C20H23N3O3S2 — CID 20889191

About 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide

2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide (PubChem CID 20889191) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide
• PubChem CID: 20889191
• Molecular Formula: C20H23N3O3S2
• Molecular Weight: 417.56 g/mol
• Exact Mass: 417.12
• IUPAC Name: 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide
• SMILES: Cc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)c1
• InChI: InChI=1S/C20H23N3O3S2/c1-14-5-4-6-16(11-14)9-10-21-20(24)13-23(3)28(25,26)17-7-8-18-19(12-17)27-15(2)22-18/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,24)
• InChIKey: YMINPDFYOUWRGT-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.56
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide?

The IUPAC name of 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide (CID 20889191) is 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide is Cc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)c1.

What is the InChIKey of 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide?

The InChIKey is YMINPDFYOUWRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-14-5-4-6-16(11-14)9-10-21-20(24)13-23(3)28(25,26)17-7-8-18-19(12-17)27-15(2)22-18/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,24).

What are the key properties of 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide?

2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide has a molecular weight of 417.56 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[2-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 20889191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).