4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide

C17H19FN2O3S — CID 53282813

IUPAC4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(c1ccc(C(=O)NCc2cccc(F)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O3S/c1-3-20(24(2,22)23)16-9-7-14(8-10-16)17(21)19-12-13-5-4-6-15(18)11-13/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyOJUVHLPNTCKBBV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.54
Rot. Bonds6

About 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide

4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 53282813) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID53282813
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(c1ccc(C(=O)NCc2cccc(F)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O3S/c1-3-20(24(2,22)23)16-9-7-14(8-10-16)17(21)19-12-13-5-4-6-15(18)11-13/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyOJUVHLPNTCKBBV-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 53282729
4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53287826
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283027
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]acetamide
CID 53279455
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53286601
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
N-[(3-fluorophenyl)methyl]-4-[(E)-pent-1-enyl]benzamide
CID 59811460
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53284156

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide (CID 53282813) is 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide is CCN(c1ccc(C(=O)NCc2cccc(F)c2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is OJUVHLPNTCKBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-20(24(2,22)23)16-9-7-14(8-10-16)17(21)19-12-13-5-4-6-15(18)11-13/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide?
4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 53282813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).