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

C20H17Cl2N3O4S — CID 24590815

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

4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide (PubChem CID 24590815) has the molecular formula C20H17Cl2N3O4S and a molecular weight of 466.35 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide.

Molecular Properties

• Compound Name: 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide
• PubChem CID: 24590815
• Molecular Formula: C20H17Cl2N3O4S
• Molecular Weight: 466.35 g/mol
• Exact Mass: 465.03
• IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide
• SMILES: COc1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc(Cl)c1OCC(N)=O
• InChI: InChI=1S/C20H17Cl2N3O4S/c1-28-16-8-12(7-15(22)18(16)29-10-17(23)26)19(27)25-20-24-9-14(30-20)6-11-2-4-13(21)5-3-11/h2-5,7-9H,6,10H2,1H3,(H2,23,26)(H,24,25,27)
• InChIKey: IVOIQXLOUPLXLN-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.35
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide (CID 24590815) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide.

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

The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide is COc1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc(Cl)c1OCC(N)=O.

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

The InChIKey is IVOIQXLOUPLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4S/c1-28-16-8-12(7-15(22)18(16)29-10-17(23)26)19(27)25-20-24-9-14(30-20)6-11-2-4-13(21)5-3-11/h2-5,7-9H,6,10H2,1H3,(H2,23,26)(H,24,25,27).

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

4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide has a molecular weight of 466.35 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide is sourced from PubChem (CID 24590815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).