N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide

C17H17NO4S — CID 71787834

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCC(O)c3cccs3)oc12
InChIInChI=1S/C17H17NO4S/c1-21-13-5-2-4-11-10-14(22-16(11)13)17(20)18-8-7-12(19)15-6-3-9-23-15/h2-6,9-10,12,19H,7-8H2,1H3,(H,18,20)
InChIKeyXEAWLUQEOCQKAA-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.36
Rot. Bonds6

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 71787834) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID71787834
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCC(O)c3cccs3)oc12
InChIInChI=1S/C17H17NO4S/c1-21-13-5-2-4-11-10-14(22-16(11)13)17(20)18-8-7-12(19)15-6-3-9-23-15/h2-6,9-10,12,19H,7-8H2,1H3,(H,18,20)
InChIKeyXEAWLUQEOCQKAA-UHFFFAOYSA-N
XLogP3.36
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide (CID 71787834) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCCC(O)c3cccs3)oc12.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is XEAWLUQEOCQKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-21-13-5-2-4-11-10-14(22-16(11)13)17(20)18-8-7-12(19)15-6-3-9-23-15/h2-6,9-10,12,19H,7-8H2,1H3,(H,18,20).
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71787834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).