N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

C28H24N2O5S — CID 3679313

IUPACN-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c1)oc1ccccc12
InChIInChI=1S/C28H24N2O5S/c1-17-8-12-20(13-9-17)30-36(32,33)27-14-19(11-10-18(27)2)28(31)29-23-16-25-22(15-26(23)34-3)21-6-4-5-7-24(21)35-25/h4-16,30H,1-3H3,(H,29,31)
InChIKeyPRUOEELCFKAIPM-UHFFFAOYSA-N
MW500.58 g/mol
LogP6.26
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 3679313) has the molecular formula C28H24N2O5S and a molecular weight of 500.58 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID3679313
Molecular FormulaC28H24N2O5S
Molecular Weight500.58 g/mol
Exact Mass500.14
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c1)oc1ccccc12
InChIInChI=1S/C28H24N2O5S/c1-17-8-12-20(13-9-17)30-36(32,33)27-14-19(11-10-18(27)2)28(31)29-23-16-25-22(15-26(23)34-3)21-6-4-5-7-24(21)35-25/h4-16,30H,1-3H3,(H,29,31)
InChIKeyPRUOEELCFKAIPM-UHFFFAOYSA-N
XLogP6.26
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.58
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26667364
3-(dimethylsulfamoyl)-4-methoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 26413572
N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
CID 2912279
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide
CID 37331079
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415005
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 3679313) is N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1cc2c(cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is PRUOEELCFKAIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5S/c1-17-8-12-20(13-9-17)30-36(32,33)27-14-19(11-10-18(27)2)28(31)29-23-16-25-22(15-26(23)34-3)21-6-4-5-7-24(21)35-25/h4-16,30H,1-3H3,(H,29,31).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 500.58 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3679313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).