N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

C23H24ClN3O3S2 — CID 55480724

About N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide (PubChem CID 55480724) has the molecular formula C23H24ClN3O3S2 and a molecular weight of 490.05 g/mol. Its IUPAC name is N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
• PubChem CID: 55480724
• Molecular Formula: C23H24ClN3O3S2
• Molecular Weight: 490.05 g/mol
• Exact Mass: 489.09
• IUPAC Name: N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
• SMILES: COc1ccccc1C(=O)NC(CCSC)C(=O)Nc1ncc(Cc2ccccc2Cl)s1
• InChI: InChI=1S/C23H24ClN3O3S2/c1-30-20-10-6-4-8-17(20)21(28)26-19(11-12-31-2)22(29)27-23-25-14-16(32-23)13-15-7-3-5-9-18(15)24/h3-10,14,19H,11-13H2,1-2H3,(H,26,28)(H,25,27,29)
• InChIKey: UZGQHVSLDHLDLL-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.05
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?

The IUPAC name of N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide (CID 55480724) is N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide.

What is the SMILES notation for N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?

The canonical SMILES for N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(CCSC)C(=O)Nc1ncc(Cc2ccccc2Cl)s1.

What is the InChIKey of N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?

The InChIKey is UZGQHVSLDHLDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S2/c1-30-20-10-6-4-8-17(20)21(28)26-19(11-12-31-2)22(29)27-23-25-14-16(32-23)13-15-7-3-5-9-18(15)24/h3-10,14,19H,11-13H2,1-2H3,(H,26,28)(H,25,27,29).

What are the key properties of N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide?

N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 490.05 g/mol, XLogP of 4.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 55480724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).