1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea

C23H31N3O3S — CID 46012657

About 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea

1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea (PubChem CID 46012657) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea
• PubChem CID: 46012657
• Molecular Formula: C23H31N3O3S
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.21
• IUPAC Name: 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea
• SMILES: CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2C1COc1ccccc1
• InChI: InChI=1S/C23H31N3O3S/c1-3-12-24-23(28)25(13-4-2)16-22(27)26-14-10-21-19(11-15-30-21)20(26)17-29-18-8-6-5-7-9-18/h5-9,11,15,20H,3-4,10,12-14,16-17H2,1-2H3,(H,24,28)
• InChIKey: HHYPEUPIDLZULO-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea?

The IUPAC name of 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea (CID 46012657) is 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea.

What is the SMILES notation for 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea?

The canonical SMILES for 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea is CCCNC(=O)N(CCC)CC(=O)N1CCc2sccc2C1COc1ccccc1.

What is the InChIKey of 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea?

The InChIKey is HHYPEUPIDLZULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-3-12-24-23(28)25(13-4-2)16-22(27)26-14-10-21-19(11-15-30-21)20(26)17-29-18-8-6-5-7-9-18/h5-9,11,15,20H,3-4,10,12-14,16-17H2,1-2H3,(H,24,28).

What are the key properties of 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea?

1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea has a molecular weight of 429.59 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-dipropylurea is sourced from PubChem (CID 46012657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).