N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide

C20H25FN2O4S — CID 132663186

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)NC(C)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O4S/c1-13-6-11-19(27-4)18(12-13)23(28(5,25)26)15(3)20(24)22-14(2)16-7-9-17(21)10-8-16/h6-12,14-15H,1-5H3,(H,22,24)
InChIKeyLHZYFPXSWIVHBZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.17
Rot. Bonds7

About N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide

N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 132663186) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
PubChem CID132663186
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)NC(C)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O4S/c1-13-6-11-19(27-4)18(12-13)23(28(5,25)26)15(3)20(24)22-14(2)16-7-9-17(21)10-8-16/h6-12,14-15H,1-5H3,(H,22,24)
InChIKeyLHZYFPXSWIVHBZ-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125082559
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132673940
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125044225
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125077302
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43905617
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 94012958
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 94012957
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 132662723
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 125054340
(2S)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 99948303
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 43875538
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 125042859

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide (CID 132663186) is N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide is COc1ccc(C)cc1N(C(C)C(=O)NC(C)c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is LHZYFPXSWIVHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-13-6-11-19(27-4)18(12-13)23(28(5,25)26)15(3)20(24)22-14(2)16-7-9-17(21)10-8-16/h6-12,14-15H,1-5H3,(H,22,24).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide?
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 408.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132663186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).