3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide

C13H18FNO3S — CID 110357206

IUPAC3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C13H18FNO3S/c1-10(9-11-3-5-12(14)6-4-11)13(16)15-7-8-19(2,17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyZSSRVPWQCMQCQZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.17
Rot. Bonds6

About 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide

3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide (PubChem CID 110357206) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide
PubChem CID110357206
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C13H18FNO3S/c1-10(9-11-3-5-12(14)6-4-11)13(16)15-7-8-19(2,17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyZSSRVPWQCMQCQZ-UHFFFAOYSA-N
XLogP1.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide
CID 110355296
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302878
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
2-[[1-(2-methylsulfonylethylamino)-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 22901009
3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 110310309
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
3-(4-fluorophenyl)-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110302461

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide (CID 110357206) is 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide is CC(Cc1ccc(F)cc1)C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is ZSSRVPWQCMQCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-10(9-11-3-5-12(14)6-4-11)13(16)15-7-8-19(2,17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide?
3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 110357206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).