N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide

C23H23ClN2O5S — CID 3289227

IUPACN-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-30-18-9-7-17(8-10-18)26-32(28,29)20-13-11-19(12-14-20)31-15-23(27)25-22-6-4-5-21(24)16(22)2/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyVPFCKDRKZMVWDD-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.87
Rot. Bonds9

About N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 3289227) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID3289227
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-30-18-9-7-17(8-10-18)26-32(28,29)20-13-11-19(12-14-20)31-15-23(27)25-22-6-4-5-21(24)16(22)2/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyVPFCKDRKZMVWDD-UHFFFAOYSA-N
XLogP4.87
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 3962831
N-(2-ethoxyphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126393709
methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 3573663
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373189
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 4024458

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide (CID 3289227) is N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide is CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is VPFCKDRKZMVWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-3-30-18-9-7-17(8-10-18)26-32(28,29)20-13-11-19(12-14-20)31-15-23(27)25-22-6-4-5-21(24)16(22)2/h4-14,26H,3,15H2,1-2H3,(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 474.97 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 3289227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).