5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide

C25H19ClFN3O3S — CID 55851405

About 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 55851405) has the molecular formula C25H19ClFN3O3S and a molecular weight of 495.96 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide
• PubChem CID: 55851405
• Molecular Formula: C25H19ClFN3O3S
• Molecular Weight: 495.96 g/mol
• Exact Mass: 495.08
• IUPAC Name: 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cccc(OCc2ccccn2)c1
• InChI: InChI=1S/C25H19ClFN3O3S/c1-15-11-22(30-24(31)20-9-8-16(27)12-21(20)26)34-23(15)25(32)29-17-6-4-7-19(13-17)33-14-18-5-2-3-10-28-18/h2-13H,14H2,1H3,(H,29,32)(H,30,31)
• InChIKey: KNJVTAJGUUXFFN-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.96
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide (CID 55851405) is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide.

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

The canonical SMILES for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cccc(OCc2ccccn2)c1.

What is the InChIKey of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide?

The InChIKey is KNJVTAJGUUXFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O3S/c1-15-11-22(30-24(31)20-9-8-16(27)12-21(20)26)34-23(15)25(32)29-17-6-4-7-19(13-17)33-14-18-5-2-3-10-28-18/h2-13H,14H2,1H3,(H,29,32)(H,30,31).

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

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 495.96 g/mol, XLogP of 6.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55851405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).