5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide

C25H22N2O4 — CID 4287180

IUPAC5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)c(C)c3)o2)cc1C
InChIInChI=1S/C25H22N2O4/c1-15-6-7-18(13-16(15)2)21-10-11-23(31-21)25(29)26-19-8-9-20(17(3)14-19)27-24(28)22-5-4-12-30-22/h4-14H,1-3H3,(H,26,29)(H,27,28)
InChIKeyGJXXZVFHAYMNNP-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.97
Rot. Bonds5

About 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide

5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide (PubChem CID 4287180) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
PubChem CID4287180
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)c(C)c3)o2)cc1C
InChIInChI=1S/C25H22N2O4/c1-15-6-7-18(13-16(15)2)21-10-11-23(31-21)25(29)26-19-8-9-20(17(3)14-19)27-24(28)22-5-4-12-30-22/h4-14H,1-3H3,(H,26,29)(H,27,28)
InChIKeyGJXXZVFHAYMNNP-UHFFFAOYSA-N
XLogP5.97
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 4309569
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
CID 154858775
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3556398
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide (CID 4287180) is 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)c(C)c3)o2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide?
The InChIKey is GJXXZVFHAYMNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-15-6-7-18(13-16(15)2)21-10-11-23(31-21)25(29)26-19-8-9-20(17(3)14-19)27-24(28)22-5-4-12-30-22/h4-14H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide?
5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 4287180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).