N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

C22H22N2O5 — CID 21047625

IUPACN-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)Nc3cccc(NC(C)=O)c3)o2)c1
InChIInChI=1S/C22H22N2O5/c1-14(25)23-16-5-4-6-17(13-16)24-22(26)21-10-8-19(29-21)12-15-11-18(27-2)7-9-20(15)28-3/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeySTXCPMKRIJXQKH-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.10
Rot. Bonds7

About N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21047625) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21047625
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)Nc3cccc(NC(C)=O)c3)o2)c1
InChIInChI=1S/C22H22N2O5/c1-14(25)23-16-5-4-6-17(13-16)24-22(26)21-10-8-19(29-21)12-15-11-18(27-2)7-9-20(15)28-3/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeySTXCPMKRIJXQKH-UHFFFAOYSA-N
XLogP4.10
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047813
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
N-(2-carbamoylphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047265
5-[(2,5-dimethoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)furan-2-carboxamide
CID 21045991
N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048194
5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide
CID 21046046
5-[(2,5-dimethoxyphenyl)methyl]-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 21045924
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047196

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (CID 21047625) is N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(OC)c(Cc2ccc(C(=O)Nc3cccc(NC(C)=O)c3)o2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is STXCPMKRIJXQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14(25)23-16-5-4-6-17(13-16)24-22(26)21-10-8-19(29-21)12-15-11-18(27-2)7-9-20(15)28-3/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).