2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide

C18H21NO4S — CID 110790654

IUPAC2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H21NO4S/c1-14-4-3-5-16(12-14)23-13-18(20)19-11-10-15-6-8-17(9-7-15)24(2,21)22/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyYMQRPDWTPYMSIR-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.14
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide

2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 110790654) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID110790654
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H21NO4S/c1-14-4-3-5-16(12-14)23-13-18(20)19-11-10-15-6-8-17(9-7-15)24(2,21)22/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyYMQRPDWTPYMSIR-UHFFFAOYSA-N
XLogP2.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003
2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659062
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110790987
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 9487982
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108736263
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide (CID 110790654) is 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide is Cc1cccc(OCC(=O)NCCc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is YMQRPDWTPYMSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-14-4-3-5-16(12-14)23-13-18(20)19-11-10-15-6-8-17(9-7-15)24(2,21)22/h3-9,12H,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 110790654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).