3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide

C20H25N3O4S2 — CID 55977376

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide (PubChem CID 55977376) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide.

Molecular Properties

• Compound Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
• PubChem CID: 55977376
• Molecular Formula: C20H25N3O4S2
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.13
• IUPAC Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
• SMILES: CCCNC(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
• InChI: InChI=1S/C20H25N3O4S2/c1-2-9-21-19(24)6-10-22-20(25)15-4-3-5-17(13-15)29(26,27)23-11-7-18-16(14-23)8-12-28-18/h3-5,8,12-13H,2,6-7,9-11,14H2,1H3,(H,21,24)(H,22,25)
• InChIKey: PMTRYNLNTDBPSX-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide?

The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide (CID 55977376) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide.

What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide?

The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide is CCCNC(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1.

What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide?

The InChIKey is PMTRYNLNTDBPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-2-9-21-19(24)6-10-22-20(25)15-4-3-5-17(13-15)29(26,27)23-11-7-18-16(14-23)8-12-28-18/h3-5,8,12-13H,2,6-7,9-11,14H2,1H3,(H,21,24)(H,22,25).

What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide?

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide is sourced from PubChem (CID 55977376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).