2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide

C17H20N2O3S — CID 136532052

IUPAC2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide
SMILESO=C(NC1CCCc2sccc21)N1CCOC(c2ccco2)C1
InChIInChI=1S/C17H20N2O3S/c20-17(18-13-3-1-5-16-12(13)6-10-23-16)19-7-9-22-15(11-19)14-4-2-8-21-14/h2,4,6,8,10,13,15H,1,3,5,7,9,11H2,(H,18,20)
InChIKeyCLMATFVEDSTRMN-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.50
Rot. Bonds2

About 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide

2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide (PubChem CID 136532052) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide
PubChem CID136532052
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide
SMILESO=C(NC1CCCc2sccc21)N1CCOC(c2ccco2)C1
InChIInChI=1S/C17H20N2O3S/c20-17(18-13-3-1-5-16-12(13)6-10-23-16)19-7-9-22-15(11-19)14-4-2-8-21-14/h2,4,6,8,10,13,15H,1,3,5,7,9,11H2,(H,18,20)
InChIKeyCLMATFVEDSTRMN-UHFFFAOYSA-N
XLogP3.50
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide (CID 136532052) is 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide is O=C(NC1CCCc2sccc21)N1CCOC(c2ccco2)C1.
What is the InChIKey of 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide?
The InChIKey is CLMATFVEDSTRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(18-13-3-1-5-16-12(13)6-10-23-16)19-7-9-22-15(11-19)14-4-2-8-21-14/h2,4,6,8,10,13,15H,1,3,5,7,9,11H2,(H,18,20).
What are the key properties of 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide?
2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 136532052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).