2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide

C17H19ClN2O4S — CID 47067384

IUPAC2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H19ClN2O4S/c1-3-25(22,23)20-16-9-6-14(10-12(16)2)19-17(21)11-24-15-7-4-13(18)5-8-15/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyXCMBSBNEODMVOI-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.43
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide

2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide (PubChem CID 47067384) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
PubChem CID47067384
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H19ClN2O4S/c1-3-25(22,23)20-16-9-6-14(10-12(16)2)19-17(21)11-24-15-7-4-13(18)5-8-15/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyXCMBSBNEODMVOI-UHFFFAOYSA-N
XLogP3.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 55947056
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 47067394
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-methoxyphenoxy)acetamide
CID 55947423
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 60552730
5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
CID 55948329
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide (CID 47067384) is 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The InChIKey is XCMBSBNEODMVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-3-25(22,23)20-16-9-6-14(10-12(16)2)19-17(21)11-24-15-7-4-13(18)5-8-15/h4-10,20H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide has a molecular weight of 382.87 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide is sourced from PubChem (CID 47067384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).