2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide

C16H16ClNO4S — CID 18076736

IUPAC2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C16H16ClNO4S/c1-11-9-13(5-8-15(11)17)22-10-16(19)18-12-3-6-14(7-4-12)23(2,20)21/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyUPYGPMWORFQEFH-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 18076736) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID18076736
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl
InChIInChI=1S/C16H16ClNO4S/c1-11-9-13(5-8-15(11)17)22-10-16(19)18-12-3-6-14(7-4-12)23(2,20)21/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyUPYGPMWORFQEFH-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4924502
2-(4-chloro-3-methylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3543968
2-(4-chloro-3-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183039
2-(4-chloro-3-methylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 2987150
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3543964
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
2-(4-chloro-3-methylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782740
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide (CID 18076736) is 2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide is Cc1cc(OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is UPYGPMWORFQEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11-9-13(5-8-15(11)17)22-10-16(19)18-12-3-6-14(7-4-12)23(2,20)21/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 353.83 g/mol, XLogP of 3.07, 5 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-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 18076736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).