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

C19H23FN2O4S — CID 21173441

IUPACN-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-3-26-18-12-8-16(9-13-18)21-19(23)5-4-14-22(27(2,24)25)17-10-6-15(20)7-11-17/h6-13H,3-5,14H2,1-2H3,(H,21,23)
InChIKeySHYCLYITEHGHQP-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.41
Rot. Bonds9

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

N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 21173441) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID21173441
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-3-26-18-12-8-16(9-13-18)21-19(23)5-4-14-22(27(2,24)25)17-10-6-15(20)7-11-17/h6-13H,3-5,14H2,1-2H3,(H,21,23)
InChIKeySHYCLYITEHGHQP-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

4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)butanamide
CID 53280923
N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287763
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53286904
N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144923
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53286601
ethyl 2-chloro-5-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 92675030
N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30398538

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide (CID 21173441) is N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide is CCOc1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is SHYCLYITEHGHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-3-26-18-12-8-16(9-13-18)21-19(23)5-4-14-22(27(2,24)25)17-10-6-15(20)7-11-17/h6-13H,3-5,14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
N-(4-ethoxyphenyl)-4-(4-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-(4-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 21173441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).