N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide

C19H19NO5 — CID 95982356

IUPACN-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@](O)(c3ccco3)C3CC3)oc12
InChIInChI=1S/C19H19NO5/c1-23-14-5-2-4-12-10-15(25-17(12)14)18(21)20-11-19(22,13-7-8-13)16-6-3-9-24-16/h2-6,9-10,13,22H,7-8,11H2,1H3,(H,20,21)/t19-/m1/s1
InChIKeyBWCJRFHPQGDDJE-LJQANCHMSA-N
MW341.36 g/mol
LogP3.06
Rot. Bonds6

About N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 95982356) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID95982356
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@](O)(c3ccco3)C3CC3)oc12
InChIInChI=1S/C19H19NO5/c1-23-14-5-2-4-12-10-15(25-17(12)14)18(21)20-11-19(22,13-7-8-13)16-6-3-9-24-16/h2-6,9-10,13,22H,7-8,11H2,1H3,(H,20,21)/t19-/m1/s1
InChIKeyBWCJRFHPQGDDJE-LJQANCHMSA-N
XLogP3.06
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71781506
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 71781508
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
CID 56764219
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085471
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
CID 95982310
7-methoxy-N-[2-(oxan-4-ylsulfanyl)ethyl]-1-benzofuran-2-carboxamide
CID 86265197
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
CID 121085461
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide
CID 121085545
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97428375

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 95982356) is N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC[C@](O)(c3ccco3)C3CC3)oc12.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is BWCJRFHPQGDDJE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO5/c1-23-14-5-2-4-12-10-15(25-17(12)14)18(21)20-11-19(22,13-7-8-13)16-6-3-9-24-16/h2-6,9-10,13,22H,7-8,11H2,1H3,(H,20,21)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95982356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).