2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide

C20H25ClN2O4S — CID 26423151

IUPAC2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)18-9-6-16(7-10-18)13-22-20(24)14-27-17-8-11-19(21)15(3)12-17/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyREDNUCCSWXSSEY-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.37
Rot. Bonds9

About 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 26423151) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID26423151
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)18-9-6-16(7-10-18)13-22-20(24)14-27-17-8-11-19(21)15(3)12-17/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyREDNUCCSWXSSEY-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 26423148
2-[4-(diethylsulfamoyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28554472
2-(4-chloro-3-methylphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007347
2-[4-(diethylsulfamoyl)phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 28562560
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387544
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(2-tert-butylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 24549137
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 112775706
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108761245
2-(4-chloro-3-methylphenoxy)-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
CID 17018513

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide (CID 26423151) is 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is REDNUCCSWXSSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)18-9-6-16(7-10-18)13-22-20(24)14-27-17-8-11-19(21)15(3)12-17/h6-12H,4-5,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 26423151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).