2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

C23H25ClN4O3S — CID 24593975

About 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 24593975) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
• PubChem CID: 24593975
• Molecular Formula: C23H25ClN4O3S
• Molecular Weight: 473.00 g/mol
• Exact Mass: 472.13
• IUPAC Name: 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
• SMILES: CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ncc(Cc2ccccc2Cl)s1
• InChI: InChI=1S/C23H25ClN4O3S/c1-3-28(14-21(29)26-17-8-10-18(31-2)11-9-17)15-22(30)27-23-25-13-19(32-23)12-16-6-4-5-7-20(16)24/h4-11,13H,3,12,14-15H2,1-2H3,(H,26,29)(H,25,27,30)
• InChIKey: QORONQHWNCDWGV-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 83.56 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	473.00
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (CID 24593975) is 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ncc(Cc2ccccc2Cl)s1.

What is the InChIKey of 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?

The InChIKey is QORONQHWNCDWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-3-28(14-21(29)26-17-8-10-18(31-2)11-9-17)15-22(30)27-23-25-13-19(32-23)12-16-6-4-5-7-20(16)24/h4-11,13H,3,12,14-15H2,1-2H3,(H,26,29)(H,25,27,30).

What are the key properties of 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?

2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 473.00 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 24593975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).