3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide

C25H25N3O4S2 — CID 37359392

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide (PubChem CID 37359392) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
• PubChem CID: 37359392
• Molecular Formula: C25H25N3O4S2
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.13
• IUPAC Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
• SMILES: O=C(Nc1cccc(CN2CCCC2=O)c1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
• InChI: InChI=1S/C25H25N3O4S2/c29-24-8-3-11-27(24)16-18-4-1-6-21(14-18)26-25(30)19-5-2-7-22(15-19)34(31,32)28-12-9-23-20(17-28)10-13-33-23/h1-2,4-7,10,13-15H,3,8-9,11-12,16-17H2,(H,26,30)
• InChIKey: XHRJLZYKOVDPID-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
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-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?

The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide (CID 37359392) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?

The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide is O=C(Nc1cccc(CN2CCCC2=O)c1)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-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?

The InChIKey is XHRJLZYKOVDPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c29-24-8-3-11-27(24)16-18-4-1-6-21(14-18)26-25(30)19-5-2-7-22(15-19)34(31,32)28-12-9-23-20(17-28)10-13-33-23/h1-2,4-7,10,13-15H,3,8-9,11-12,16-17H2,(H,26,30).

What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 495.63 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 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-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 37359392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).