N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide

C19H22FNO4S — CID 90623037

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1
InChIInChI=1S/C19H22FNO4S/c1-25-18(15-4-3-5-16(20)12-15)13-21-19(22)11-8-14-6-9-17(10-7-14)26(2,23)24/h3-7,9-10,12,18H,8,11,13H2,1-2H3,(H,21,22)
InChIKeyAYRNQNDURVKRFM-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.67
Rot. Bonds8

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 90623037) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID90623037
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1
InChIInChI=1S/C19H22FNO4S/c1-25-18(15-4-3-5-16(20)12-15)13-21-19(22)11-8-14-6-9-17(10-7-14)26(2,23)24/h3-7,9-10,12,18H,8,11,13H2,1-2H3,(H,21,22)
InChIKeyAYRNQNDURVKRFM-UHFFFAOYSA-N
XLogP2.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.67
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]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide (CID 90623037) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide is COC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is AYRNQNDURVKRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-25-18(15-4-3-5-16(20)12-15)13-21-19(22)11-8-14-6-9-17(10-7-14)26(2,23)24/h3-7,9-10,12,18H,8,11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 379.45 g/mol, XLogP of 2.67, 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]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 90623037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).