N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide

C22H22N2O5S — CID 41455271

IUPACN-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N2O5S/c1-15-7-10-19(11-8-15)30(26,27)24-17-6-4-5-16(13-17)22(25)23-20-14-18(28-2)9-12-21(20)29-3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyUJYFMTVADJKHJN-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.07
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide

N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 41455271) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID41455271
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N2O5S/c1-15-7-10-19(11-8-15)30(26,27)24-17-6-4-5-16(13-17)22(25)23-20-14-18(28-2)9-12-21(20)29-3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyUJYFMTVADJKHJN-UHFFFAOYSA-N
XLogP4.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042376
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 24536389
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24504263

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 41455271) is N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide is COc1ccc(OC)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UJYFMTVADJKHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-15-7-10-19(11-8-15)30(26,27)24-17-6-4-5-16(13-17)22(25)23-20-14-18(28-2)9-12-21(20)29-3/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 426.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 41455271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).