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

C27H22N2O4 — CID 1037916

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC
InChIInChI=1S/C27H22N2O4/c1-31-22-14-13-18(15-23(22)32-2)16-24(30)29-27-21(17-28)25(19-9-5-3-6-10-19)26(33-27)20-11-7-4-8-12-20/h3-15H,16H2,1-2H3,(H,29,30)
InChIKeyWRIQFXLZESDFIP-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.68
Rot. Bonds7

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

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 1037916) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID1037916
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC
InChIInChI=1S/C27H22N2O4/c1-31-22-14-13-18(15-23(22)32-2)16-24(30)29-27-21(17-28)25(19-9-5-3-6-10-19)26(33-27)20-11-7-4-8-12-20/h3-15H,16H2,1-2H3,(H,29,30)
InChIKeyWRIQFXLZESDFIP-UHFFFAOYSA-N
XLogP5.68
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-diphenyl-2-furyl)-3,4,5-trimethoxybenzamide
CID 1242767
N-(3-cyano-5-phenylfuran-2-yl)-4-methylbenzamide
CID 1477449
N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
CID 2305048
N-(3-Cyano-4,5-diphenyl-furan-2-yl)-2-(2,6-dimethyl-phenoxy)-acetamide
CID 2307658
N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide
CID 3710774
methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate
CID 46216786
N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)acetamide
CID 46230982
phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate
CID 46230983
N-(3-cyano-5-phenylfuran-2-yl)benzamide
CID 730897
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide
CID 1042823

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 1037916) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is WRIQFXLZESDFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-31-22-14-13-18(15-23(22)32-2)16-24(30)29-27-21(17-28)25(19-9-5-3-6-10-19)26(33-27)20-11-7-4-8-12-20/h3-15H,16H2,1-2H3,(H,29,30).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 438.48 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1037916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).