3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

C24H30FN3O4S — CID 93172415

About 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 93172415) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

• Compound Name: 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
• PubChem CID: 93172415
• Molecular Formula: C24H30FN3O4S
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.19
• IUPAC Name: 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
• SMILES: CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H]1CCCO1
• InChI: InChI=1S/C24H30FN3O4S/c1-2-26-24(30)27(14-19-4-3-12-31-19)15-23(29)28-11-9-22-20(10-13-33-22)21(28)16-32-18-7-5-17(25)6-8-18/h5-8,10,13,19,21H,2-4,9,11-12,14-16H2,1H3,(H,26,30)/t19-,21-/m0/s1
• InChIKey: FTSHSQDHRTYKFW-FPOVZHCZSA-N
• XLogP: 3.60
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?

The IUPAC name of 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 93172415) is 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.

What is the SMILES notation for 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?

The canonical SMILES for 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H]1CCCO1.

What is the InChIKey of 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?

The InChIKey is FTSHSQDHRTYKFW-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c1-2-26-24(30)27(14-19-4-3-12-31-19)15-23(29)28-11-9-22-20(10-13-33-22)21(28)16-32-18-7-5-17(25)6-8-18/h5-8,10,13,19,21H,2-4,9,11-12,14-16H2,1H3,(H,26,30)/t19-,21-/m0/s1.

What are the key properties of 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?

3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 475.59 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 93172415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).