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

C20H24FNO4S — CID 90599214

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(C)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1F
InChIInChI=1S/C20H24FNO4S/c1-20(26-2,17-6-4-5-7-18(17)21)14-22-19(23)13-10-15-8-11-16(12-9-15)27(3,24)25/h4-9,11-12H,10,13-14H2,1-3H3,(H,22,23)
InChIKeyGYHYAHTUKOSCCS-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.84
Rot. Bonds8

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

N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 90599214) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID90599214
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(C)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1F
InChIInChI=1S/C20H24FNO4S/c1-20(26-2,17-6-4-5-7-18(17)21)14-22-19(23)13-10-15-8-11-16(12-9-15)27(3,24)25/h4-9,11-12H,10,13-14H2,1-3H3,(H,22,23)
InChIKeyGYHYAHTUKOSCCS-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide (CID 90599214) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide is COC(C)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is GYHYAHTUKOSCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-20(26-2,17-6-4-5-7-18(17)21)14-22-19(23)13-10-15-8-11-16(12-9-15)27(3,24)25/h4-9,11-12H,10,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 393.48 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 90599214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).