N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C25H20ClN3O4S — CID 55583240

About N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55583240) has the molecular formula C25H20ClN3O4S and a molecular weight of 493.97 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
• PubChem CID: 55583240
• Molecular Formula: C25H20ClN3O4S
• Molecular Weight: 493.97 g/mol
• Exact Mass: 493.09
• IUPAC Name: N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
• SMILES: COc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cscn1
• InChI: InChI=1S/C25H20ClN3O4S/c1-32-23-12-16(6-11-22(23)33-13-19-14-34-15-27-19)24(30)29-21-5-3-2-4-20(21)25(31)28-18-9-7-17(26)8-10-18/h2-12,14-15H,13H2,1H3,(H,28,31)(H,29,30)
• InChIKey: UOTYYAHMWOJUSA-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.97
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?

The IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55583240) is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

What is the SMILES notation for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?

The canonical SMILES for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cscn1.

What is the InChIKey of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?

The InChIKey is UOTYYAHMWOJUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4S/c1-32-23-12-16(6-11-22(23)33-13-19-14-34-15-27-19)24(30)29-21-5-3-2-4-20(21)25(31)28-18-9-7-17(26)8-10-18/h2-12,14-15H,13H2,1H3,(H,28,31)(H,29,30).

What are the key properties of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?

N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 493.97 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55583240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).