2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide

C32H26N2O3 — CID 10576901

IUPAC2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
SMILESCc1ccc(-c2oc(-c3ccc(C)cc3)c(C(=O)Nc3ccccc3)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C32H26N2O3/c1-21-13-17-23(18-14-21)29-27(31(35)33-25-9-5-3-6-10-25)28(32(36)34-26-11-7-4-8-12-26)30(37-29)24-19-15-22(2)16-20-24/h3-20H,1-2H3,(H,33,35)(H,34,36)
InChIKeyQBOAGSOIZWXQHA-UHFFFAOYSA-N
MW486.57 g/mol
LogP7.74
Rot. Bonds6

About 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide

2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide (PubChem CID 10576901) has the molecular formula C32H26N2O3 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide.

Molecular Properties

Compound Name2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
PubChem CID10576901
Molecular FormulaC32H26N2O3
Molecular Weight486.57 g/mol
Exact Mass486.19
IUPAC Name2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
SMILESCc1ccc(-c2oc(-c3ccc(C)cc3)c(C(=O)Nc3ccccc3)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C32H26N2O3/c1-21-13-17-23(18-14-21)29-27(31(35)33-25-9-5-3-6-10-25)28(32(36)34-26-11-7-4-8-12-26)30(37-29)24-19-15-22(2)16-20-24/h3-20H,1-2H3,(H,33,35)(H,34,36)
InChIKeyQBOAGSOIZWXQHA-UHFFFAOYSA-N
XLogP7.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide
CID 164685853
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2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide
CID 14128678
2,3,4,5,6-pentamethyl-N-phenylbenzamide
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5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide
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N-phenylacetamide;toluene
CID 175205531
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
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CID 5152296
2-[2-(4-methylphenyl)ethynyl]-N-phenylbenzamide
CID 102453859

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide?
The IUPAC name of 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide (CID 10576901) is 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide.
What is the SMILES notation for 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide?
The canonical SMILES for 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide is Cc1ccc(-c2oc(-c3ccc(C)cc3)c(C(=O)Nc3ccccc3)c2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide?
The InChIKey is QBOAGSOIZWXQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3/c1-21-13-17-23(18-14-21)29-27(31(35)33-25-9-5-3-6-10-25)28(32(36)34-26-11-7-4-8-12-26)30(37-29)24-19-15-22(2)16-20-24/h3-20H,1-2H3,(H,33,35)(H,34,36).
What are the key properties of 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide?
2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide has a molecular weight of 486.57 g/mol, XLogP of 7.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide is sourced from PubChem (CID 10576901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).