5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide

C23H17ClN4O3S — CID 45013631

About 5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide

5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide (PubChem CID 45013631) has the molecular formula C23H17ClN4O3S and a molecular weight of 464.93 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
• PubChem CID: 45013631
• Molecular Formula: C23H17ClN4O3S
• Molecular Weight: 464.93 g/mol
• Exact Mass: 464.07
• IUPAC Name: 5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
• SMILES: COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1
• InChI: InChI=1S/C23H17ClN4O3S/c1-31-19-12-11-15(24)13-17(19)21(30)25-18-10-6-5-9-16(18)20(29)26-23-28-27-22(32-23)14-7-3-2-4-8-14/h2-13H,1H3,(H,25,30)(H,26,28,29)
• InChIKey: JIVUBSQSPHNIJM-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.93
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide (CID 45013631) is 5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide.

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

The canonical SMILES for 5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1.

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

The InChIKey is JIVUBSQSPHNIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3S/c1-31-19-12-11-15(24)13-17(19)21(30)25-18-10-6-5-9-16(18)20(29)26-23-28-27-22(32-23)14-7-3-2-4-8-14/h2-13H,1H3,(H,25,30)(H,26,28,29).

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

5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide has a molecular weight of 464.93 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 45013631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).