(2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide

C13H19FN2O4S — CID 95774605

IUPAC(2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide
SMILESCC[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F
InChIInChI=1S/C13H19FN2O4S/c1-5-12(20-4)13(17)15-11-8-9(6-7-10(11)14)21(18,19)16(2)3/h6-8,12H,5H2,1-4H3,(H,15,17)/t12-/m1/s1
InChIKeyJDWUJJQWNGCLSP-GFCCVEGCSA-N
MW318.37 g/mol
LogP1.44
Rot. Bonds6

About (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide

(2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide (PubChem CID 95774605) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide
PubChem CID95774605
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name(2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide
SMILESCC[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F
InChIInChI=1S/C13H19FN2O4S/c1-5-12(20-4)13(17)15-11-8-9(6-7-10(11)14)21(18,19)16(2)3/h6-8,12H,5H2,1-4H3,(H,15,17)/t12-/m1/s1
InChIKeyJDWUJJQWNGCLSP-GFCCVEGCSA-N
XLogP1.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea
CID 56806689
3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 106111504
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide
CID 43708238
(2R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpentanamide
CID 8838802
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide
CID 167797572
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 8600741
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide?
The IUPAC name of (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide (CID 95774605) is (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide.
What is the SMILES notation for (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide?
The canonical SMILES for (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide is CC[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F.
What is the InChIKey of (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide?
The InChIKey is JDWUJJQWNGCLSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-5-12(20-4)13(17)15-11-8-9(6-7-10(11)14)21(18,19)16(2)3/h6-8,12H,5H2,1-4H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide?
(2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide has a molecular weight of 318.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide is sourced from PubChem (CID 95774605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).