5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide

C22H16ClFN4O3S — CID 55872174

About 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 55872174) has the molecular formula C22H16ClFN4O3S and a molecular weight of 470.91 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
• PubChem CID: 55872174
• Molecular Formula: C22H16ClFN4O3S
• Molecular Weight: 470.91 g/mol
• Exact Mass: 470.06
• IUPAC Name: 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
• SMILES: Cc1nc(-c2ccccc2NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)no1
• InChI: InChI=1S/C22H16ClFN4O3S/c1-11-9-18(27-21(29)14-8-7-13(24)10-16(14)23)32-19(11)22(30)26-17-6-4-3-5-15(17)20-25-12(2)31-28-20/h3-10H,1-2H3,(H,26,30)(H,27,29)
• InChIKey: MMVPKCVUTRGYAM-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.91
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?

The IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide (CID 55872174) is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?

The canonical SMILES for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)no1.

What is the InChIKey of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?

The InChIKey is MMVPKCVUTRGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O3S/c1-11-9-18(27-21(29)14-8-7-13(24)10-16(14)23)32-19(11)22(30)26-17-6-4-3-5-15(17)20-25-12(2)31-28-20/h3-10H,1-2H3,(H,26,30)(H,27,29).

What are the key properties of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 470.91 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55872174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).