N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

C26H30N2O4S — CID 46740166

About N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide (PubChem CID 46740166) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
• PubChem CID: 46740166
• Molecular Formula: C26H30N2O4S
• Molecular Weight: 466.60 g/mol
• Exact Mass: 466.19
• IUPAC Name: N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
• SMILES: CCOc1ccc(C(c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCOCC2)cc1
• InChI: InChI=1S/C26H30N2O4S/c1-2-31-19-11-9-18(10-12-19)24(28-13-16-30-17-14-28)23-20-6-3-4-8-22(20)33-26(23)27-25(29)21-7-5-15-32-21/h5,7,9-12,15,24H,2-4,6,8,13-14,16-17H2,1H3,(H,27,29)
• InChIKey: RVZDCKWQDOIWSE-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.60
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide (CID 46740166) is N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide is CCOc1ccc(C(c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCOCC2)cc1.

What is the InChIKey of N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?

The InChIKey is RVZDCKWQDOIWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-2-31-19-11-9-18(10-12-19)24(28-13-16-30-17-14-28)23-20-6-3-4-8-22(20)33-26(23)27-25(29)21-7-5-15-32-21/h5,7,9-12,15,24H,2-4,6,8,13-14,16-17H2,1H3,(H,27,29).

What are the key properties of N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?

N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide has a molecular weight of 466.60 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-ethoxyphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).