ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate

C26H21NO4 — CID 126122147

IUPACethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H21NO4/c1-2-30-26(29)22-21(18-12-6-3-7-13-18)23(19-14-8-4-9-15-19)31-25(22)27-24(28)20-16-10-5-11-17-20/h3-17H,2H2,1H3,(H,27,28)
InChIKeyLAXQJZBFERLWKF-UHFFFAOYSA-N
MW411.46 g/mol
LogP6.04
Rot. Bonds6

About ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate

ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate (PubChem CID 126122147) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate
PubChem CID126122147
Molecular FormulaC26H21NO4
Molecular Weight411.46 g/mol
Exact Mass411.15
IUPAC Nameethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H21NO4/c1-2-30-26(29)22-21(18-12-6-3-7-13-18)23(19-14-8-4-9-15-19)31-25(22)27-24(28)20-16-10-5-11-17-20/h3-17H,2H2,1H3,(H,27,28)
InChIKeyLAXQJZBFERLWKF-UHFFFAOYSA-N
XLogP6.04
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-benzamido-2-methyl-6-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 156598657
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
CID 11056368
ethyl 5-acetyl-2-benzamido-4-phenylthiophene-3-carboxylate
CID 1118697
diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
CID 108739398
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
ethyl 5-methyl-2-[(4-methylbenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 2281503
ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 1035315
diethyl 3-benzamido-6-methylbenzene-1,2-dicarboxylate
CID 86070957
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
4-[(3-ethoxycarbonyl-5-ethyl-4-phenylthiophen-2-yl)carbamoyl]benzoic acid
CID 2921723
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate?
The IUPAC name of ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate (CID 126122147) is ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate.
What is the SMILES notation for ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate?
The canonical SMILES for ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate?
The InChIKey is LAXQJZBFERLWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO4/c1-2-30-26(29)22-21(18-12-6-3-7-13-18)23(19-14-8-4-9-15-19)31-25(22)27-24(28)20-16-10-5-11-17-20/h3-17H,2H2,1H3,(H,27,28).
What are the key properties of ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate?
ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate has a molecular weight of 411.46 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate is sourced from PubChem (CID 126122147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).