(2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

C28H21NO6 — CID 97423686

IUPAC(2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C28H21NO6/c1-32-19-12-10-18(11-13-19)29-27(30)26-23(17-14-16-6-2-4-8-21(16)33-15-17)24-25(35-26)20-7-3-5-9-22(20)34-28(24)31/h2-14,23,26H,15H2,1H3,(H,29,30)/t23-,26-/m0/s1
InChIKeyAHLDZYACDWJGJO-OZXSUGGESA-N
MW467.48 g/mol
LogP4.76
Rot. Bonds4

About (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

(2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 97423686) has the molecular formula C28H21NO6 and a molecular weight of 467.48 g/mol. Its IUPAC name is (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
PubChem CID97423686
Molecular FormulaC28H21NO6
Molecular Weight467.48 g/mol
Exact Mass467.14
IUPAC Name(2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C28H21NO6/c1-32-19-12-10-18(11-13-19)29-27(30)26-23(17-14-16-6-2-4-8-21(16)33-15-17)24-25(35-26)20-7-3-5-9-22(20)34-28(24)31/h2-14,23,26H,15H2,1H3,(H,29,30)/t23-,26-/m0/s1
InChIKeyAHLDZYACDWJGJO-OZXSUGGESA-N
XLogP4.76
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423684
3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71827394
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
(2S,3R)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425420
(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424575
(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425547
(2S,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424428
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-(2,3,4-trifluorophenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97426759
(2R,3R)-3-(3-hydroxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423917
(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425099
(2R,3R)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424318
(2S,3R)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424316

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The IUPAC name of (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 97423686) is (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The canonical SMILES for (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The InChIKey is AHLDZYACDWJGJO-OZXSUGGESA-N. The full InChI is InChI=1S/C28H21NO6/c1-32-19-12-10-18(11-13-19)29-27(30)26-23(17-14-16-6-2-4-8-21(16)33-15-17)24-25(35-26)20-7-3-5-9-22(20)34-28(24)31/h2-14,23,26H,15H2,1H3,(H,29,30)/t23-,26-/m0/s1.
What are the key properties of (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
(2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2H-chromen-3-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 97423686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).