N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide

C27H22N2O4 — CID 2392599

IUPACN-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide
SMILESCOc1ccc(-c2oc(NC(=O)c3ccc(C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H22N2O4/c1-17-4-6-20(7-5-17)26(30)29-27-23(16-28)24(18-8-12-21(31-2)13-9-18)25(33-27)19-10-14-22(32-3)15-11-19/h4-15H,1-3H3,(H,29,30)
InChIKeyVJEAXEVRTVZQCK-UHFFFAOYSA-N
MW438.48 g/mol
LogP6.06
Rot. Bonds6

About N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide

N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide (PubChem CID 2392599) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide
PubChem CID2392599
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC NameN-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide
SMILESCOc1ccc(-c2oc(NC(=O)c3ccc(C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H22N2O4/c1-17-4-6-20(7-5-17)26(30)29-27-23(16-28)24(18-8-12-21(31-2)13-9-18)25(33-27)19-10-14-22(32-3)15-11-19/h4-15H,1-3H3,(H,29,30)
InChIKeyVJEAXEVRTVZQCK-UHFFFAOYSA-N
XLogP6.06
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 56.06
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-diphenylfuran-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 1037916
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
N-(3-cyano-5-phenylfuran-2-yl)-2-methylpropanamide
CID 730912
N-(3-Cyano-4,5-diphenyl-2-furanyl)-2,2,2-trifluoroacetamide
CID 1102939
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-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide (CID 2392599) is N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide is COc1ccc(-c2oc(NC(=O)c3ccc(C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide?
The InChIKey is VJEAXEVRTVZQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-17-4-6-20(7-5-17)26(30)29-27-23(16-28)24(18-8-12-21(31-2)13-9-18)25(33-27)19-10-14-22(32-3)15-11-19/h4-15H,1-3H3,(H,29,30).
What are the key properties of N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide?
N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide has a molecular weight of 438.48 g/mol, XLogP of 6.06, 6 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-bis(4-methoxyphenyl)furan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 2392599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).