N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide

C27H22N2O5 — CID 1242767

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(OC)c1OC
InChIInChI=1S/C27H22N2O5/c1-31-21-14-19(15-22(32-2)25(21)33-3)26(30)29-27-20(16-28)23(17-10-6-4-7-11-17)24(34-27)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,29,30)
InChIKeyAOUKUETUWNLKKU-UHFFFAOYSA-N
MW454.48 g/mol
LogP5.76
Rot. Bonds7

About N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide (PubChem CID 1242767) has the molecular formula C27H22N2O5 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide
PubChem CID1242767
Molecular FormulaC27H22N2O5
Molecular Weight454.48 g/mol
Exact Mass454.15
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(OC)c1OC
InChIInChI=1S/C27H22N2O5/c1-31-21-14-19(15-22(32-2)25(21)33-3)26(30)29-27-20(16-28)23(17-10-6-4-7-11-17)24(34-27)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,29,30)
InChIKeyAOUKUETUWNLKKU-UHFFFAOYSA-N
XLogP5.76
TPSA93.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
CID 2382936
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide
CID 1204057
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 1037916
N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
CID 2305048
N-(3-cyano-4,5-diphenyl-2-furyl)-3,4-dimethoxybenzamide
CID 1112348
N-(3-cyano-4,5-diphenyl-2-furyl)-2-(2-methoxyphenoxy)acetamide
CID 1306035
N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-2,2,2-trifluoroacetamide
CID 1514463
N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide
CID 2392599
N',N'-dimethyl-N-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]propane-1,3-diamine
CID 137651243
N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide
CID 164625057
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methoxyphenyl)acetamide
CID 1724238
3,4,5-triethoxy-N-(2-phenylphenyl)benzamide
CID 1298841

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide (CID 1242767) is N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(OC)c1OC.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is AOUKUETUWNLKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O5/c1-31-21-14-19(15-22(32-2)25(21)33-3)26(30)29-27-20(16-28)23(17-10-6-4-7-11-17)24(34-27)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,29,30).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 454.48 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1242767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).