(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide

C20H25FN2O3S — CID 8991456

IUPAC(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-5-15-8-7-9-16(6-2)19(15)22-20(24)14(3)23(27(4,25)26)18-12-10-17(21)11-13-18/h7-14H,5-6H2,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeyDJMHIGHNCDNOBG-AWEZNQCLSA-N
MW392.50 g/mol
LogP3.74
Rot. Bonds7

About (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide

(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 8991456) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID8991456
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-5-15-8-7-9-16(6-2)19(15)22-20(24)14(3)23(27(4,25)26)18-12-10-17(21)11-13-18/h7-14H,5-6H2,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeyDJMHIGHNCDNOBG-AWEZNQCLSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991470
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 124561221
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565576
N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1296238
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583
N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 53281549
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (CID 8991456) is (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is DJMHIGHNCDNOBG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-5-15-8-7-9-16(6-2)19(15)22-20(24)14(3)23(27(4,25)26)18-12-10-17(21)11-13-18/h7-14H,5-6H2,1-4H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 8991456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).