N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide

C22H20N2O5 — CID 19455187

IUPACN-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(C(C)=O)cc3)o2)cc1
InChIInChI=1S/C22H20N2O5/c1-14(25)16-3-9-19(10-4-16)28-13-20-11-12-21(29-20)22(27)24-18-7-5-17(6-8-18)23-15(2)26/h3-12H,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDXOIGJZPVKECMQ-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.27
Rot. Bonds7

About N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide

N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19455187) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
PubChem CID19455187
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC NameN-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(C(C)=O)cc3)o2)cc1
InChIInChI=1S/C22H20N2O5/c1-14(25)16-3-9-19(10-4-16)28-13-20-11-12-21(29-20)22(27)24-18-7-5-17(6-8-18)23-15(2)26/h3-12H,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDXOIGJZPVKECMQ-UHFFFAOYSA-N
XLogP4.27
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966
5-[(4-acetylphenoxy)methyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide
CID 35526440
N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463236
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19455289
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19455196
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(4-acetylphenoxy)methyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 35529765
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide (CID 19455187) is N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(C(C)=O)cc3)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is DXOIGJZPVKECMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-14(25)16-3-9-19(10-4-16)28-13-20-11-12-21(29-20)22(27)24-18-7-5-17(6-8-18)23-15(2)26/h3-12H,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide?
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19455187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).