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

C18H21NO4S — CID 18096211

IUPAC2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO4S/c1-13-6-4-5-7-17(13)23-12-18(20)19-14(2)15-8-10-16(11-9-15)24(3,21)22/h4-11,14H,12H2,1-3H3,(H,19,20)
InChIKeyDILWACNCPHLCNI-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.65
Rot. Bonds6

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

2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 18096211) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID18096211
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO4S/c1-13-6-4-5-7-17(13)23-12-18(20)19-14(2)15-8-10-16(11-9-15)24(3,21)22/h4-11,14H,12H2,1-3H3,(H,19,20)
InChIKeyDILWACNCPHLCNI-UHFFFAOYSA-N
XLogP2.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096240
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26468206
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26468178
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082
2-(2,3-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326921

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 18096211) is 2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is Cc1ccccc1OCC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is DILWACNCPHLCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-6-4-5-7-17(13)23-12-18(20)19-14(2)15-8-10-16(11-9-15)24(3,21)22/h4-11,14H,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 18096211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).