N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide

C26H19N3O3S — CID 60517836

IUPACN-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C26H19N3O3S/c1-16-11-12-18(27-24(30)17-7-3-2-4-8-17)15-20(16)28-25(31)21-13-14-22(32-21)26-29-19-9-5-6-10-23(19)33-26/h2-15H,1H3,(H,27,30)(H,28,31)
InChIKeyJMFMYAFCSSZVCF-UHFFFAOYSA-N
MW453.52 g/mol
LogP6.37
Rot. Bonds5

About N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 60517836) has the molecular formula C26H19N3O3S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID60517836
Molecular FormulaC26H19N3O3S
Molecular Weight453.52 g/mol
Exact Mass453.11
IUPAC NameN-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C26H19N3O3S/c1-16-11-12-18(27-24(30)17-7-3-2-4-8-17)15-20(16)28-25(31)21-13-14-22(32-21)26-29-19-9-5-6-10-23(19)33-26/h2-15H,1H3,(H,27,30)(H,28,31)
InChIKeyJMFMYAFCSSZVCF-UHFFFAOYSA-N
XLogP6.37
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 55531872
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4279841
5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9077612
5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide
CID 46431780
5-(1,3-benzothiazol-2-yl)-N-(2-methyl-3-nitrophenyl)furan-2-carboxamide
CID 9083698
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
CID 3116484
5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46441275
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 1349590
5-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9090076

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 60517836) is N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is JMFMYAFCSSZVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3S/c1-16-11-12-18(27-24(30)17-7-3-2-4-8-17)15-20(16)28-25(31)21-13-14-22(32-21)26-29-19-9-5-6-10-23(19)33-26/h2-15H,1H3,(H,27,30)(H,28,31).
What are the key properties of N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 6.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 60517836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).