N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide

C18H21NO4S — CID 9071755

IUPACN-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H21NO4S/c1-13(2)16-9-4-5-10-17(16)23-12-18(20)19-14-7-6-8-15(11-14)24(3,21)22/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyMGNPUCZEBCHUPW-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.23
Rot. Bonds6

About N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 9071755) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID9071755
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H21NO4S/c1-13(2)16-9-4-5-10-17(16)23-12-18(20)19-14-7-6-8-15(11-14)24(3,21)22/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyMGNPUCZEBCHUPW-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7926190
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
N-(3-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17085964
N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9219528
2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354027
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903892
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 8741259
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
CID 9137794
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 8526775
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
N-(3-methylsulfonylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9137878

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 9071755) is N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is MGNPUCZEBCHUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13(2)16-9-4-5-10-17(16)23-12-18(20)19-14-7-6-8-15(11-14)24(3,21)22/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 9071755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).