(2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid

C17H18FNO5S — CID 100556679

IUPAC(2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1C[C@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18FNO5S/c1-24-16-6-4-3-5-12(16)11-15(17(20)21)19(25(2,22)23)14-9-7-13(18)8-10-14/h3-10,15H,11H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyOQOGJZTUTZECAO-OAHLLOKOSA-N
MW367.40 g/mol
LogP2.30
Rot. Bonds7

About (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid

(2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid (PubChem CID 100556679) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid
PubChem CID100556679
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1C[C@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18FNO5S/c1-24-16-6-4-3-5-12(16)11-15(17(20)21)19(25(2,22)23)14-9-7-13(18)8-10-14/h3-10,15H,11H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyOQOGJZTUTZECAO-OAHLLOKOSA-N
XLogP2.30
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(2-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 100556948
(2S)-3-(2-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 100556939
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100557740
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-3-(4-fluorophenyl)propanoic acid
CID 100555715
(2S)-3-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 100557509
2-(4-fluoro-N-methylsulfonylanilino)pentanoic acid
CID 68897693
3-(3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 133241613
2-[benzoyl(methyl)amino]-3-(2-methoxyphenyl)propanoic acid
CID 102571645
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 43886338
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 23740639
(2R)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 7378453
(2R)-2-(N-methylsulfonylanilino)-4-phenylbutanoic acid
CID 67452560

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid (CID 100556679) is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1C[C@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is OQOGJZTUTZECAO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-24-16-6-4-3-5-12(16)11-15(17(20)21)19(25(2,22)23)14-9-7-13(18)8-10-14/h3-10,15H,11H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid?
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 367.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 100556679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).