N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide

C12H16FNO4S — CID 87030944

IUPACN-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide
SMILESCCOc1ccc(NC(=O)CCS(C)(=O)=O)cc1F
InChIInChI=1S/C12H16FNO4S/c1-3-18-11-5-4-9(8-10(11)13)14-12(15)6-7-19(2,16)17/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyMKQGIXBVEVXIHF-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.60
Rot. Bonds6

About N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide

N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide (PubChem CID 87030944) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide
PubChem CID87030944
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide
SMILESCCOc1ccc(NC(=O)CCS(C)(=O)=O)cc1F
InChIInChI=1S/C12H16FNO4S/c1-3-18-11-5-4-9(8-10(11)13)14-12(15)6-7-19(2,16)17/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyMKQGIXBVEVXIHF-UHFFFAOYSA-N
XLogP1.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
2-(4-aminopiperidin-1-yl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738459
ethyl 4-(3-methylsulfonylpropanoylamino)benzoate
CID 43423779

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide (CID 87030944) is N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide is CCOc1ccc(NC(=O)CCS(C)(=O)=O)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide?
The InChIKey is MKQGIXBVEVXIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-3-18-11-5-4-9(8-10(11)13)14-12(15)6-7-19(2,16)17/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide?
N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide has a molecular weight of 289.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 87030944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).