(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide

C19H23FN2O3S — CID 99132698

IUPAC(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCc1ccccc1NC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-4-14-10-6-8-12-16(14)21-19(23)17(5-2)22(26(3,24)25)18-13-9-7-11-15(18)20/h6-13,17H,4-5H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyBBHFXUWPFFVWCL-QGZVFWFLSA-N
MW378.47 g/mol
LogP3.57
Rot. Bonds7

About (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide

(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 99132698) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID99132698
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCc1ccccc1NC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-4-14-10-6-8-12-16(14)21-19(23)17(5-2)22(26(3,24)25)18-13-9-7-11-15(18)20/h6-13,17H,4-5H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyBBHFXUWPFFVWCL-QGZVFWFLSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(2-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132618
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288310
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 99132754
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide
CID 95195829
ethyl 4-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate
CID 132670733
3-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
CID 53288176
2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 133166619
2-(2-fluoro-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133204254
N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53288278
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53288449
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]butanamide
CID 99132848
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 99132849

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide (CID 99132698) is (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide is CCc1ccccc1NC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is BBHFXUWPFFVWCL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-4-14-10-6-8-12-16(14)21-19(23)17(5-2)22(26(3,24)25)18-13-9-7-11-15(18)20/h6-13,17H,4-5H2,1-3H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide?
(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide has a molecular weight of 378.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 99132698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).