2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C18H20ClNO4S — CID 18096240

IUPAC2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H20ClNO4S/c1-12-4-9-16(19)17(10-12)24-11-18(21)20-13(2)14-5-7-15(8-6-14)25(3,22)23/h4-10,13H,11H2,1-3H3,(H,20,21)
InChIKeyQJKJQDABXCONEQ-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.31
Rot. Bonds6

About 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 18096240) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID18096240
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H20ClNO4S/c1-12-4-9-16(19)17(10-12)24-11-18(21)20-13(2)14-5-7-15(8-6-14)25(3,22)23/h4-10,13H,11H2,1-3H3,(H,20,21)
InChIKeyQJKJQDABXCONEQ-UHFFFAOYSA-N
XLogP3.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26468206
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 34662548
2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 8963184
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 55338862

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 18096240) is 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is Cc1ccc(Cl)c(OCC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is QJKJQDABXCONEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-12-4-9-16(19)17(10-12)24-11-18(21)20-13(2)14-5-7-15(8-6-14)25(3,22)23/h4-10,13H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 381.88 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 18096240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).