[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate

C20H22ClFN2O6S — CID 55323826

IUPAC[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H22ClFN2O6S/c1-13(23-31(27,28)15-9-7-14(29-3)8-10-15)20(26)30-12-19(25)24(2)11-16-17(21)5-4-6-18(16)22/h4-10,13,23H,11-12H2,1-3H3
InChIKeyQWYCMQKHOXMWJA-UHFFFAOYSA-N
MW472.92 g/mol
LogP2.36
Rot. Bonds9

About [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 55323826) has the molecular formula C20H22ClFN2O6S and a molecular weight of 472.92 g/mol. Its IUPAC name is [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID55323826
Molecular FormulaC20H22ClFN2O6S
Molecular Weight472.92 g/mol
Exact Mass472.09
IUPAC Name[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H22ClFN2O6S/c1-13(23-31(27,28)15-9-7-14(29-3)8-10-15)20(26)30-12-19(25)24(2)11-16-17(21)5-4-6-18(16)22/h4-10,13,23H,11-12H2,1-3H3
InChIKeyQWYCMQKHOXMWJA-UHFFFAOYSA-N
XLogP2.36
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.92
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate 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

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 46608995
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55936254
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 35419885
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843274
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 16565738
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 55324552
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 34391326
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18080513
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849406
[2-(3-methoxyanilino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55927790
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 55315127
N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 94393869

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 55323826) is [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)NC(C)C(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is QWYCMQKHOXMWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O6S/c1-13(23-31(27,28)15-9-7-14(29-3)8-10-15)20(26)30-12-19(25)24(2)11-16-17(21)5-4-6-18(16)22/h4-10,13,23H,11-12H2,1-3H3.
What are the key properties of [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate?
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 472.92 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55323826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).