N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C26H24N2O4S — CID 55405944

IUPACN-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(c3ccccc3)c3ccco3)cc2)cc1
InChIInChI=1S/C26H24N2O4S/c1-19-10-16-23(17-11-19)33(30,31)28(2)22-14-12-21(13-15-22)26(29)27-25(24-9-6-18-32-24)20-7-4-3-5-8-20/h3-18,25H,1-2H3,(H,27,29)
InChIKeyRLCAJJNVNJDFJV-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.93
Rot. Bonds7

About N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 55405944) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID55405944
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC NameN-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(c3ccccc3)c3ccco3)cc2)cc1
InChIInChI=1S/C26H24N2O4S/c1-19-10-16-23(17-11-19)33(30,31)28(2)22-14-12-21(13-15-22)26(29)27-25(24-9-6-18-32-24)20-7-4-3-5-8-20/h3-18,25H,1-2H3,(H,27,29)
InChIKeyRLCAJJNVNJDFJV-UHFFFAOYSA-N
XLogP4.93
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
4-(diethylsulfamoyl)-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928237
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578950
N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9481851
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 92646480

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 55405944) is N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(c3ccccc3)c3ccco3)cc2)cc1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is RLCAJJNVNJDFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-19-10-16-23(17-11-19)33(30,31)28(2)22-14-12-21(13-15-22)26(29)27-25(24-9-6-18-32-24)20-7-4-3-5-8-20/h3-18,25H,1-2H3,(H,27,29).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55405944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).