N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide

C23H23ClN2O5S — CID 26622481

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-26(15-16-31-19-11-9-18(24)10-12-19)23(27)17-7-13-20(14-8-17)32(28,29)25-21-5-3-4-6-22(21)30-2/h3-14,25H,15-16H2,1-2H3
InChIKeyJBUJQMKQXAUQDP-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.30
Rot. Bonds9

About N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 26622481) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID26622481
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-26(15-16-31-19-11-9-18(24)10-12-19)23(27)17-7-13-20(14-8-17)32(28,29)25-21-5-3-4-6-22(21)30-2/h3-14,25H,15-16H2,1-2H3
InChIKeyJBUJQMKQXAUQDP-UHFFFAOYSA-N
XLogP4.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-4-(methoxysulfamoyl)-N-methylbenzamide
CID 55834326
4-[2-[2-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68690715
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24516626
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
N-(cyclohexylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 43057461
N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 55637435
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27795629
4-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619424
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9429656
N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
CID 38579965

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide (CID 26622481) is N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is JBUJQMKQXAUQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-26(15-16-31-19-11-9-18(24)10-12-19)23(27)17-7-13-20(14-8-17)32(28,29)25-21-5-3-4-6-22(21)30-2/h3-14,25H,15-16H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 474.97 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 26622481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).