2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide

C17H21FN2O4S — CID 53281344

IUPAC2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
SMILESCC(C(=O)NCCCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H21FN2O4S/c1-13(17(21)19-11-3-5-16-6-4-12-24-16)20(25(2,22)23)15-9-7-14(18)8-10-15/h4,6-10,12-13H,3,5,11H2,1-2H3,(H,19,21)
InChIKeyFLCAWVYQPBKDFY-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.32
Rot. Bonds8

About 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide

2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide (PubChem CID 53281344) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
PubChem CID53281344
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
SMILESCC(C(=O)NCCCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H21FN2O4S/c1-13(17(21)19-11-3-5-16-6-4-12-24-16)20(25(2,22)23)15-9-7-14(18)8-10-15/h4,6-10,12-13H,3,5,11H2,1-2H3,(H,19,21)
InChIKeyFLCAWVYQPBKDFY-UHFFFAOYSA-N
XLogP2.32
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.32
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-(2-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53285782
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 124561221
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991472
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
CID 53283202
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 6490149
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561228
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565576
N-[[4-(diethylamino)phenyl]methyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133187050
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 41032121
2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 53281365
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 28636247

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide?
The IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide (CID 53281344) is 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide?
The canonical SMILES for 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide is CC(C(=O)NCCCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide?
The InChIKey is FLCAWVYQPBKDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c1-13(17(21)19-11-3-5-16-6-4-12-24-16)20(25(2,22)23)15-9-7-14(18)8-10-15/h4,6-10,12-13H,3,5,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide?
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide has a molecular weight of 368.43 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide is sourced from PubChem (CID 53281344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).