N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C20H24FNO4S — CID 73168410

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCOC(CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C20H24FNO4S/c1-14(2)27(24,25)18-9-7-15(8-10-18)11-20(23)22-13-19(26-3)16-5-4-6-17(21)12-16/h4-10,12,14,19H,11,13H2,1-3H3,(H,22,23)
InChIKeyOQZGLIKKMYSWSO-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.05
Rot. Bonds8

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 73168410) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID73168410
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCOC(CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C20H24FNO4S/c1-14(2)27(24,25)18-9-7-15(8-10-18)11-20(23)22-13-19(26-3)16-5-4-6-17(21)12-16/h4-10,12,14,19H,11,13H2,1-3H3,(H,22,23)
InChIKeyOQZGLIKKMYSWSO-UHFFFAOYSA-N
XLogP3.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 73168410) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is COC(CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is OQZGLIKKMYSWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-14(2)27(24,25)18-9-7-15(8-10-18)11-20(23)22-13-19(26-3)16-5-4-6-17(21)12-16/h4-10,12,14,19H,11,13H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 393.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 73168410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).