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

C19H23FN2O4S — CID 53287763

IUPACN-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-3-26-16-12-10-15(11-13-16)21-19(23)9-6-14-22(27(2,24)25)18-8-5-4-7-17(18)20/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,23)
InChIKeyVERZLAQSQWZOLA-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.41
Rot. Bonds9

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

N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 53287763) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID53287763
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-3-26-16-12-10-15(11-13-16)21-19(23)9-6-14-22(27(2,24)25)18-8-5-4-7-17(18)20/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,23)
InChIKeyVERZLAQSQWZOLA-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-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-ethoxyphenyl)acetamide
CID 1098100
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)butanamide
CID 53280923
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113157658
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261
N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144923
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113142208

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide (CID 53287763) is N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide is CCOc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is VERZLAQSQWZOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-3-26-16-12-10-15(11-13-16)21-19(23)9-6-14-22(27(2,24)25)18-8-5-4-7-17(18)20/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
N-(4-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-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53287763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).