2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C19H23N3O4S2 — CID 7189684

About 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 7189684) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 7189684
• Molecular Formula: C19H23N3O4S2
• Molecular Weight: 421.54 g/mol
• Exact Mass: 421.11
• IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCN1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C(N)=O)C1
• InChI: InChI=1S/C19H23N3O4S2/c1-2-22-10-8-14-15(12-22)27-19(17(14)18(20)24)21-16(23)9-11-28(25,26)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,24)(H,21,23)
• InChIKey: YYYCTWPKBFPCNY-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.54
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 7189684) is 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C(N)=O)C1.

What is the InChIKey of 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is YYYCTWPKBFPCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-2-22-10-8-14-15(12-22)27-19(17(14)18(20)24)21-16(23)9-11-28(25,26)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,24)(H,21,23).

What are the key properties of 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 7189684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).