4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide

C22H19ClN2O2S — CID 46542148

About 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide

4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide (PubChem CID 46542148) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
• PubChem CID: 46542148
• Molecular Formula: C22H19ClN2O2S
• Molecular Weight: 410.93 g/mol
• Exact Mass: 410.09
• IUPAC Name: 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
• SMILES: Cc1c(NC(=O)c2ccc(Cl)cc2)cccc1C(=O)N1CCc2sccc2C1
• InChI: InChI=1S/C22H19ClN2O2S/c1-14-18(22(27)25-11-9-20-16(13-25)10-12-28-20)3-2-4-19(14)24-21(26)15-5-7-17(23)8-6-15/h2-8,10,12H,9,11,13H2,1H3,(H,24,26)
• InChIKey: KHFOECFBGKEQHR-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.93
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide?

The IUPAC name of 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide (CID 46542148) is 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide.

What is the SMILES notation for 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide?

The canonical SMILES for 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide is Cc1c(NC(=O)c2ccc(Cl)cc2)cccc1C(=O)N1CCc2sccc2C1.

What is the InChIKey of 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide?

The InChIKey is KHFOECFBGKEQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-14-18(22(27)25-11-9-20-16(13-25)10-12-28-20)3-2-4-19(14)24-21(26)15-5-7-17(23)8-6-15/h2-8,10,12H,9,11,13H2,1H3,(H,24,26).

What are the key properties of 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide?

4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide has a molecular weight of 410.93 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 46542148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).