(3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C24H19NO5 — CID 8573037

IUPAC(3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)[C@]1(C)Cc3ccccc3C(=O)O1)oc1ccccc12
InChIInChI=1S/C24H19NO5/c1-24(13-14-7-3-4-8-15(14)22(26)30-24)23(27)25-18-12-20-17(11-21(18)28-2)16-9-5-6-10-19(16)29-20/h3-12H,13H2,1-2H3,(H,25,27)/t24-/m0/s1
InChIKeyAYTIBBQBBOQEKZ-DEOSSOPVSA-N
MW401.42 g/mol
LogP4.70
Rot. Bonds3

About (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide

(3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 8573037) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID8573037
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name(3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)[C@]1(C)Cc3ccccc3C(=O)O1)oc1ccccc12
InChIInChI=1S/C24H19NO5/c1-24(13-14-7-3-4-8-15(14)22(26)30-24)23(27)25-18-12-20-17(11-21(18)28-2)16-9-5-6-10-19(16)29-20/h3-12H,13H2,1-2H3,(H,25,27)/t24-/m0/s1
InChIKeyAYTIBBQBBOQEKZ-DEOSSOPVSA-N
XLogP4.70
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 7263264
(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide
CID 2225841
N-(2-methoxydibenzofuran-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 9098188
(3R)-N-(4-ethoxy-3-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 41046982
3-methyl-N-(2-methylphenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 3158988
(3R)-N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 829970
(3R)-7-chloro-N-(2-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 42107462
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
(5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide
CID 7962448
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791
(3S)-N-(2-ethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 944283
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 8573037) is (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is COc1cc2c(cc1NC(=O)[C@]1(C)Cc3ccccc3C(=O)O1)oc1ccccc12.
What is the InChIKey of (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is AYTIBBQBBOQEKZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H19NO5/c1-24(13-14-7-3-4-8-15(14)22(26)30-24)23(27)25-18-12-20-17(11-21(18)28-2)16-9-5-6-10-19(16)29-20/h3-12H,13H2,1-2H3,(H,25,27)/t24-/m0/s1.
What are the key properties of (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 8573037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).