3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide

C23H23N3O4S2 — CID 32919519

About 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide

3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide (PubChem CID 32919519) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
• PubChem CID: 32919519
• Molecular Formula: C23H23N3O4S2
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.11
• IUPAC Name: 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
• SMILES: CNC(=O)c1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)c1
• InChI: InChI=1S/C23H23N3O4S2/c1-24-22(27)17-5-2-4-16(12-17)14-25-23(28)18-6-3-7-20(13-18)32(29,30)26-10-8-21-19(15-26)9-11-31-21/h2-7,9,11-13H,8,10,14-15H2,1H3,(H,24,27)(H,25,28)
• InChIKey: LLNMBNQGZBOJNZ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide?

The IUPAC name of 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide (CID 32919519) is 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide.

What is the SMILES notation for 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide?

The canonical SMILES for 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)c1.

What is the InChIKey of 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide?

The InChIKey is LLNMBNQGZBOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-24-22(27)17-5-2-4-16(12-17)14-25-23(28)18-6-3-7-20(13-18)32(29,30)26-10-8-21-19(15-26)9-11-31-21/h2-7,9,11-13H,8,10,14-15H2,1H3,(H,24,27)(H,25,28).

What are the key properties of 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide?

3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 469.59 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 32919519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).