2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide

C23H23ClN2O5S — CID 3502178

IUPAC2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C23H23ClN2O5S/c1-15-8-10-18(32(28,29)26-19-6-4-5-7-22(19)30-3)13-20(15)25-23(27)14-31-21-11-9-17(24)12-16(21)2/h4-13,26H,14H2,1-3H3,(H,25,27)
InChIKeyRENDDWFYAXDLDY-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.78
Rot. Bonds8

About 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide (PubChem CID 3502178) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
PubChem CID3502178
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C23H23ClN2O5S/c1-15-8-10-18(32(28,29)26-19-6-4-5-7-22(19)30-3)13-20(15)25-23(27)14-31-21-11-9-17(24)12-16(21)2/h4-13,26H,14H2,1-3H3,(H,25,27)
InChIKeyRENDDWFYAXDLDY-UHFFFAOYSA-N
XLogP4.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 3907497
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
N-(5-chloro-2-methylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770477
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide (CID 3502178) is 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide is COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide?
The InChIKey is RENDDWFYAXDLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-15-8-10-18(32(28,29)26-19-6-4-5-7-22(19)30-3)13-20(15)25-23(27)14-31-21-11-9-17(24)12-16(21)2/h4-13,26H,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide has a molecular weight of 474.97 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 3502178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).