N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide

C22H22N2O5S — CID 17146887

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-3-29-19-11-7-18(8-12-19)24-30(26,27)21-13-9-17(10-14-21)23-22(25)16-5-4-6-20(15-16)28-2/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyCWSKZASFSQQADU-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.15
Rot. Bonds8

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide (PubChem CID 17146887) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
PubChem CID17146887
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C22H22N2O5S/c1-3-29-19-11-7-18(8-12-19)24-30(26,27)21-13-9-17(10-14-21)23-22(25)16-5-4-6-20(15-16)28-2/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyCWSKZASFSQQADU-UHFFFAOYSA-N
XLogP4.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 17175147
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 30860583
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide
CID 5061186
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide (CID 17146887) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide?
The InChIKey is CWSKZASFSQQADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-3-29-19-11-7-18(8-12-19)24-30(26,27)21-13-9-17(10-14-21)23-22(25)16-5-4-6-20(15-16)28-2/h4-15,24H,3H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide has a molecular weight of 426.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 17146887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).