N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C19H19N3O3S2 — CID 9129166

About N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 9129166) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
• PubChem CID: 9129166
• Molecular Formula: C19H19N3O3S2
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.09
• IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
• SMILES: O=C(CN1CCc2sccc2[C@H]1c1cccs1)NC(=O)NCc1ccco1
• InChI: InChI=1S/C19H19N3O3S2/c23-17(21-19(24)20-11-13-3-1-8-25-13)12-22-7-5-15-14(6-10-27-15)18(22)16-4-2-9-26-16/h1-4,6,8-10,18H,5,7,11-12H2,(H2,20,21,23,24)/t18-/m0/s1
• InChIKey: HVQRNQJLRXCZGI-SFHVURJKSA-N
• XLogP: 3.38
• TPSA: 74.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 9129166) is N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is O=C(CN1CCc2sccc2[C@H]1c1cccs1)NC(=O)NCc1ccco1.

What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The InChIKey is HVQRNQJLRXCZGI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c23-17(21-19(24)20-11-13-3-1-8-25-13)12-22-7-5-15-14(6-10-27-15)18(22)16-4-2-9-26-16/h1-4,6,8-10,18H,5,7,11-12H2,(H2,20,21,23,24)/t18-/m0/s1.

What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 9129166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).