(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

C18H20BrFN2O4S — CID 126342070

IUPAC(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20BrFN2O4S/c1-4-26-15-8-6-14(7-9-15)22(27(3,24)25)12(2)18(23)21-17-10-5-13(19)11-16(17)20/h5-12H,4H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyQKZHJERMXHAUOL-GFCCVEGCSA-N
MW459.34 g/mol
LogP3.78
Rot. Bonds7

About (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 126342070) has the molecular formula C18H20BrFN2O4S and a molecular weight of 459.34 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID126342070
Molecular FormulaC18H20BrFN2O4S
Molecular Weight459.34 g/mol
Exact Mass458.03
IUPAC Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20BrFN2O4S/c1-4-26-15-8-6-14(7-9-15)22(27(3,24)25)12(2)18(23)21-17-10-5-13(19)11-16(17)20/h5-12H,4H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyQKZHJERMXHAUOL-GFCCVEGCSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 21372237
(2S)-N-(4-bromophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333977
N-(2,4-dimethoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 2910799
N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 126311869
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333410
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333488
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1276265
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 133185303

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide (CID 126342070) is (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is QKZHJERMXHAUOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20BrFN2O4S/c1-4-26-15-8-6-14(7-9-15)22(27(3,24)25)12(2)18(23)21-17-10-5-13(19)11-16(17)20/h5-12H,4H2,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 459.34 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 126342070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).