4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide

C19H23FN2O4S — CID 53286936

IUPAC4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
SMILESCCOc1ccc(N(CCCC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-3-26-18-12-10-17(11-13-18)22(27(2,24)25)14-4-5-19(23)21-16-8-6-15(20)7-9-16/h6-13H,3-5,14H2,1-2H3,(H,21,23)
InChIKeyRTFMOIXDNVONKQ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.41
Rot. Bonds9

About 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide

4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide (PubChem CID 53286936) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
PubChem CID53286936
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
SMILESCCOc1ccc(N(CCCC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-3-26-18-12-10-17(11-13-18)22(27(2,24)25)14-4-5-19(23)21-16-8-6-15(20)7-9-16/h6-13H,3-5,14H2,1-2H3,(H,21,23)
InChIKeyRTFMOIXDNVONKQ-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-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
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 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide?
The IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide (CID 53286936) is 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide is CCOc1ccc(N(CCCC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide?
The InChIKey is RTFMOIXDNVONKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-3-26-18-12-10-17(11-13-18)22(27(2,24)25)14-4-5-19(23)21-16-8-6-15(20)7-9-16/h6-13H,3-5,14H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide?
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)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 4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 53286936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).