N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide

C29H23NO4 — CID 135006210

IUPACN-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide
SMILESO=C(N[C@]1(Cc2ccccc2)C(=O)OC(c2ccco2)=C[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23NO4/c31-27(23-15-8-3-9-16-23)30-29(20-21-11-4-1-5-12-21)24(22-13-6-2-7-14-22)19-26(34-28(29)32)25-17-10-18-33-25/h1-19,24H,20H2,(H,30,31)/t24-,29+/m1/s1
InChIKeyYKGKLRGRFYJADV-GIGWZHCTSA-N
MW449.51 g/mol
LogP5.37
Rot. Bonds6

About N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide

N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide (PubChem CID 135006210) has the molecular formula C29H23NO4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide
PubChem CID135006210
Molecular FormulaC29H23NO4
Molecular Weight449.51 g/mol
Exact Mass449.16
IUPAC NameN-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide
SMILESO=C(N[C@]1(Cc2ccccc2)C(=O)OC(c2ccco2)=C[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23NO4/c31-27(23-15-8-3-9-16-23)30-29(20-21-11-4-1-5-12-21)24(22-13-6-2-7-14-22)19-26(34-28(29)32)25-17-10-18-33-25/h1-19,24H,20H2,(H,30,31)/t24-,29+/m1/s1
InChIKeyYKGKLRGRFYJADV-GIGWZHCTSA-N
XLogP5.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4S,5R)-5-benzamido-5-benzyl-4-(4-chlorophenyl)-6-oxo-4H-pyran-2-carboxylate
CID 52915218
N-[(3S,3aS)-3-benzyl-2-oxo-3aH-cyclohepta[b]furan-3-yl]benzamide
CID 102144205
N-[(3S,4S)-2,4-dibenzyl-3-(4-nitrophenyl)-5-oxo-1,2-oxazolidin-4-yl]benzamide
CID 132990264
2,3-bis(furan-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 3239711
(2-benzamido-2-oxoethyl) furan-2-carboxylate
CID 7486704
N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 54583242
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-[(2S,6R,8S,12R)-7-(furan-2-yl)-3,5,9,11-tetraoxo-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-1-yl]benzamide
CID 12022151
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[(2S,6R,8S,12R)-7-methyl-3,5,9,11-tetraoxo-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-1-yl]benzamide
CID 12022149

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide?
The IUPAC name of N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide (CID 135006210) is N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide.
What is the SMILES notation for N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide?
The canonical SMILES for N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide is O=C(N[C@]1(Cc2ccccc2)C(=O)OC(c2ccco2)=C[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide?
The InChIKey is YKGKLRGRFYJADV-GIGWZHCTSA-N. The full InChI is InChI=1S/C29H23NO4/c31-27(23-15-8-3-9-16-23)30-29(20-21-11-4-1-5-12-21)24(22-13-6-2-7-14-22)19-26(34-28(29)32)25-17-10-18-33-25/h1-19,24H,20H2,(H,30,31)/t24-,29+/m1/s1.
What are the key properties of N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide?
N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-benzyl-6-(furan-2-yl)-2-oxo-4-phenyl-4H-pyran-3-yl]benzamide is sourced from PubChem (CID 135006210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).