[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate

C23H29FN2O6S — CID 55373207

IUPAC[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N(C)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C23H29FN2O6S/c1-6-26(7-2)33(29,30)18-10-8-16(3)19(13-18)23(28)32-15-22(27)25(4)14-17-9-11-21(31-5)20(24)12-17/h8-13H,6-7,14-15H2,1-5H3
InChIKeyCUIWUVSIXDOKDO-UHFFFAOYSA-N
MW480.56 g/mol
LogP2.99
Rot. Bonds10

About [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate

[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate (PubChem CID 55373207) has the molecular formula C23H29FN2O6S and a molecular weight of 480.56 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
PubChem CID55373207
Molecular FormulaC23H29FN2O6S
Molecular Weight480.56 g/mol
Exact Mass480.17
IUPAC Name[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N(C)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C23H29FN2O6S/c1-6-26(7-2)33(29,30)18-10-8-16(3)19(13-18)23(28)32-15-22(27)25(4)14-17-9-11-21(31-5)20(24)12-17/h8-13H,6-7,14-15H2,1-5H3
InChIKeyCUIWUVSIXDOKDO-UHFFFAOYSA-N
XLogP2.99
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55373466
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 55403519
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 55372315
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 18193667
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 55373143
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849856
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
CID 55372413
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 32829104
5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 39912911
4-(diethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 16574101
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 55309834
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 18193527

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate (CID 55373207) is [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N(C)Cc2ccc(OC)c(F)c2)c1.
What is the InChIKey of [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate?
The InChIKey is CUIWUVSIXDOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O6S/c1-6-26(7-2)33(29,30)18-10-8-16(3)19(13-18)23(28)32-15-22(27)25(4)14-17-9-11-21(31-5)20(24)12-17/h8-13H,6-7,14-15H2,1-5H3.
What are the key properties of [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate?
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate has a molecular weight of 480.56 g/mol, XLogP of 2.99, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 55373207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).