N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide

C22H18N2O5 — CID 171133916

IUPACN-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1c(C(=O)Nc2cc(-c3ccc(C(N)=O)o3)ccc2C)oc2ccccc12
InChIInChI=1S/C22H18N2O5/c1-12-7-8-13(16-9-10-18(28-16)21(23)25)11-15(12)24-22(26)20-19(27-2)14-5-3-4-6-17(14)29-20/h3-11H,1-2H3,(H2,23,25)(H,24,26)
InChIKeyJIGSEAGHUTXPPH-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.36
Rot. Bonds5

About N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide

N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide (PubChem CID 171133916) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide
PubChem CID171133916
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC NameN-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1c(C(=O)Nc2cc(-c3ccc(C(N)=O)o3)ccc2C)oc2ccccc12
InChIInChI=1S/C22H18N2O5/c1-12-7-8-13(16-9-10-18(28-16)21(23)25)11-15(12)24-22(26)20-19(27-2)14-5-3-4-6-17(14)29-20/h3-11H,1-2H3,(H2,23,25)(H,24,26)
InChIKeyJIGSEAGHUTXPPH-UHFFFAOYSA-N
XLogP4.36
TPSA107.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3556398
5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688511
5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115
5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687982
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7928997
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2464234
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 87001795
methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
CID 8928559

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide (CID 171133916) is N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide is COc1c(C(=O)Nc2cc(-c3ccc(C(N)=O)o3)ccc2C)oc2ccccc12.
What is the InChIKey of N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is JIGSEAGHUTXPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-12-7-8-13(16-9-10-18(28-16)21(23)25)11-15(12)24-22(26)20-19(27-2)14-5-3-4-6-17(14)29-20/h3-11H,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide?
N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 171133916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).