N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C24H27N3O2S2 — CID 46599115

About N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 46599115) has the molecular formula C24H27N3O2S2 and a molecular weight of 453.63 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

• Compound Name: N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
• PubChem CID: 46599115
• Molecular Formula: C24H27N3O2S2
• Molecular Weight: 453.63 g/mol
• Exact Mass: 453.15
• IUPAC Name: N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
• SMILES: Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2SCc2csc(C)n2)c(C)c1
• InChI: InChI=1S/C24H27N3O2S2/c1-15-10-16(2)23(17(3)11-15)26-22(28)12-27(5)24(29)20-8-6-7-9-21(20)31-14-19-13-30-18(4)25-19/h6-11,13H,12,14H2,1-5H3,(H,26,28)
• InChIKey: PWTVXIXADTZYDU-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.63
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?

The IUPAC name of N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 46599115) is N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

What is the SMILES notation for N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?

The canonical SMILES for N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2SCc2csc(C)n2)c(C)c1.

What is the InChIKey of N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?

The InChIKey is PWTVXIXADTZYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S2/c1-15-10-16(2)23(17(3)11-15)26-22(28)12-27(5)24(29)20-8-6-7-9-21(20)31-14-19-13-30-18(4)25-19/h6-11,13H,12,14H2,1-5H3,(H,26,28).

What are the key properties of N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?

N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 453.63 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 46599115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).