N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide

C20H25FN2O3S — CID 55813419

IUPACN-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCCN(CCCNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H25FN2O3S/c1-3-23(18-8-5-4-6-9-18)15-7-14-22-20(24)16(2)27(25,26)19-12-10-17(21)11-13-19/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,22,24)
InChIKeyGLVAJRAVYZHENK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.02
Rot. Bonds9

About N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide

N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 55813419) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID55813419
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCCN(CCCNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H25FN2O3S/c1-3-23(18-8-5-4-6-9-18)15-7-14-22-20(24)16(2)27(25,26)19-12-10-17(21)11-13-19/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,22,24)
InChIKeyGLVAJRAVYZHENK-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55818783
3-(N-ethylanilino)propylurea
CID 112708177
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
CID 24654937
N-[2-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111390290
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31956332
1-[3-(N-ethylanilino)propyl]-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
CID 111390073
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide (CID 55813419) is N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide is CCN(CCCNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is GLVAJRAVYZHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-23(18-8-5-4-6-9-18)15-7-14-22-20(24)16(2)27(25,26)19-12-10-17(21)11-13-19/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide?
N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 392.50 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 55813419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).