N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide

C19H23FN2O4S — CID 53287797

IUPACN-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C19H23FN2O4S/c1-3-26-16-9-6-8-15(14-16)21-19(23)12-7-13-22(27(2,24)25)18-11-5-4-10-17(18)20/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,21,23)
InChIKeyHGVMYHAWMPZUSU-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.41
Rot. Bonds9

About N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide

N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 53287797) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID53287797
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C19H23FN2O4S/c1-3-26-16-9-6-8-15(14-16)21-19(23)12-7-13-22(27(2,24)25)18-11-5-4-10-17(18)20/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,21,23)
InChIKeyHGVMYHAWMPZUSU-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287763
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53285147
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 113143498
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53288278
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-[(3-ethoxyphenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288365

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide (CID 53287797) is N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide is CCOc1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is HGVMYHAWMPZUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-3-26-16-9-6-8-15(14-16)21-19(23)12-7-13-22(27(2,24)25)18-11-5-4-10-17(18)20/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide has a molecular weight of 394.47 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53287797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).