2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide

C20H25FN2O4S — CID 133185289

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCOc1ccc(N(C(C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O4S/c1-4-27-19-11-9-18(10-12-19)23(28(3,25)26)15(2)20(24)22-14-13-16-5-7-17(21)8-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyIEBJXJVJBZQGQL-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.74
Rot. Bonds9

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 133185289) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID133185289
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCOc1ccc(N(C(C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O4S/c1-4-27-19-11-9-18(10-12-19)23(28(3,25)26)15(2)20(24)22-14-13-16-5-7-17(21)8-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyIEBJXJVJBZQGQL-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 133185303
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126035412
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
N-[3-(4-ethoxyphenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 132666864
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2914975
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 125070834
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 92677922
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125075203
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125075204
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92764926

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 133185289) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide is CCOc1ccc(N(C(C)C(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is IEBJXJVJBZQGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-4-27-19-11-9-18(10-12-19)23(28(3,25)26)15(2)20(24)22-14-13-16-5-7-17(21)8-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 408.50 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 133185289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).