2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide

C16H16ClNO4S — CID 14870431

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11-3-6-14(7-4-11)23(20,21)18-16(19)10-22-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyXZVXUDDUSNNCQU-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.84
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide

2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 14870431) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID14870431
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11-3-6-14(7-4-11)23(20,21)18-16(19)10-22-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyXZVXUDDUSNNCQU-UHFFFAOYSA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[2,2,2-trichloro-1-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 3802786
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 3907497
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1291104
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
1-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-(4-methylphenyl)sulfonylurea
CID 110191834
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
(E)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6120896
methyl N-[4-[[2-(5-chloro-2-methylphenoxy)acetyl]amino]phenyl]sulfonylcarbamate
CID 137373673
[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
CID 154313785
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide (CID 14870431) is 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)NC(=O)COc2ccc(Cl)cc2C)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is XZVXUDDUSNNCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11-3-6-14(7-4-11)23(20,21)18-16(19)10-22-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 353.83 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 14870431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).