3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide

C20H23F2N3O4S — CID 55792417

IUPAC3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H23F2N3O4S/c1-4-25(13-19(26)23-12-14-5-8-16(21)9-6-14)20(27)15-7-10-17(22)18(11-15)30(28,29)24(2)3/h5-11H,4,12-13H2,1-3H3,(H,23,26)
InChIKeyYHIPQHKZMABFSA-UHFFFAOYSA-N
MW439.48 g/mol
LogP1.99
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 55792417) has the molecular formula C20H23F2N3O4S and a molecular weight of 439.48 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID55792417
Molecular FormulaC20H23F2N3O4S
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC Name3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H23F2N3O4S/c1-4-25(13-19(26)23-12-14-5-8-16(21)9-6-14)20(27)15-7-10-17(22)18(11-15)30(28,29)24(2)3/h5-11H,4,12-13H2,1-3H3,(H,23,26)
InChIKeyYHIPQHKZMABFSA-UHFFFAOYSA-N
XLogP1.99
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529902
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide
CID 18280419
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55359807
N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 18079934
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7261239
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119726485
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
CID 8897183
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55790239
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide (CID 55792417) is 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is YHIPQHKZMABFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4S/c1-4-25(13-19(26)23-12-14-5-8-16(21)9-6-14)20(27)15-7-10-17(22)18(11-15)30(28,29)24(2)3/h5-11H,4,12-13H2,1-3H3,(H,23,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 439.48 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55792417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).