2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

C20H23N3O4S2 — CID 100559378

About 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100559378) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

• Compound Name: 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
• PubChem CID: 100559378
• Molecular Formula: C20H23N3O4S2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.11
• IUPAC Name: 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
• SMILES: Cc1c(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cccc1N(C)S(C)(=O)=O
• InChI: InChI=1S/C20H23N3O4S2/c1-12(2)23-17-10-9-14(11-18(17)28-20(23)25)21-19(24)15-7-6-8-16(13(15)3)22(4)29(5,26)27/h6-12H,1-5H3,(H,21,24)
• InChIKey: XQFOZODWTKOMCJ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 88.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?

The IUPAC name of 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (CID 100559378) is 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.

What is the SMILES notation for 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?

The canonical SMILES for 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is Cc1c(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cccc1N(C)S(C)(=O)=O.

What is the InChIKey of 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?

The InChIKey is XQFOZODWTKOMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-12(2)23-17-10-9-14(11-18(17)28-20(23)25)21-19(24)15-7-6-8-16(13(15)3)22(4)29(5,26)27/h6-12H,1-5H3,(H,21,24).

What are the key properties of 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?

2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 433.56 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100559378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).