4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide

C17H22N2O4S — CID 53281281

IUPAC4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccco2)cc1
InChIInChI=1S/C17H22N2O4S/c1-3-24(21,22)19(2)15-10-8-14(9-11-15)17(20)18-12-4-6-16-7-5-13-23-16/h5,7-11,13H,3-4,6,12H2,1-2H3,(H,18,20)
InChIKeyWJZFMFMNEWUIFR-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.43
Rot. Bonds8

About 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide

4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide (PubChem CID 53281281) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
PubChem CID53281281
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccco2)cc1
InChIInChI=1S/C17H22N2O4S/c1-3-24(21,22)19(2)15-10-8-14(9-11-15)17(20)18-12-4-6-16-7-5-13-23-16/h5,7-11,13H,3-4,6,12H2,1-2H3,(H,18,20)
InChIKeyWJZFMFMNEWUIFR-UHFFFAOYSA-N
XLogP2.43
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.43
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

4-[dimethylsulfamoyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53283301
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide
CID 53282150
N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 53286121
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169
4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 100785424
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
CID 53283202
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53281344
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256

Frequently Asked Questions

What is the IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide?
The IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide (CID 53281281) is 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide.
What is the SMILES notation for 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide?
The canonical SMILES for 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCc2ccco2)cc1.
What is the InChIKey of 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide?
The InChIKey is WJZFMFMNEWUIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-3-24(21,22)19(2)15-10-8-14(9-11-15)17(20)18-12-4-6-16-7-5-13-23-16/h5,7-11,13H,3-4,6,12H2,1-2H3,(H,18,20).
What are the key properties of 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide?
4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide has a molecular weight of 350.44 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethylsulfonyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide is sourced from PubChem (CID 53281281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).