4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide

C20H19ClN4O4S — CID 17257164

About 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide

4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17257164) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
• PubChem CID: 17257164
• Molecular Formula: C20H19ClN4O4S
• Molecular Weight: 446.92 g/mol
• Exact Mass: 446.08
• IUPAC Name: 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
• SMILES: COc1ccc(Cc2nnc(NC(=O)c3cc(Cl)c(NC(C)=O)cc3OC)s2)cc1
• InChI: InChI=1S/C20H19ClN4O4S/c1-11(26)22-16-10-17(29-3)14(9-15(16)21)19(27)23-20-25-24-18(30-20)8-12-4-6-13(28-2)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,22,26)(H,23,25,27)
• InChIKey: SCVJXVVZUVSSHV-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 102.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.92
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?

The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 17257164) is 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.

What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?

The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide is COc1ccc(Cc2nnc(NC(=O)c3cc(Cl)c(NC(C)=O)cc3OC)s2)cc1.

What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?

The InChIKey is SCVJXVVZUVSSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c1-11(26)22-16-10-17(29-3)14(9-15(16)21)19(27)23-20-25-24-18(30-20)8-12-4-6-13(28-2)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,22,26)(H,23,25,27).

What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?

4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 446.92 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17257164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).