[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate

C21H25ClN2O6S — CID 55306794

IUPAC[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O6S/c1-4-24(5-2)20(25)14-30-21(26)16-8-11-18(29-3)19(12-16)31(27,28)23-13-15-6-9-17(22)10-7-15/h6-12,23H,4-5,13-14H2,1-3H3
InChIKeyIXWANXLJEFOZMA-UHFFFAOYSA-N
MW468.96 g/mol
LogP2.85
Rot. Bonds10

About [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate

[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate (PubChem CID 55306794) has the molecular formula C21H25ClN2O6S and a molecular weight of 468.96 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
PubChem CID55306794
Molecular FormulaC21H25ClN2O6S
Molecular Weight468.96 g/mol
Exact Mass468.11
IUPAC Name[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O6S/c1-4-24(5-2)20(25)14-30-21(26)16-8-11-18(29-3)19(12-16)31(27,28)23-13-15-6-9-17(22)10-7-15/h6-12,23H,4-5,13-14H2,1-3H3
InChIKeyIXWANXLJEFOZMA-UHFFFAOYSA-N
XLogP2.85
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate with MolForge

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
CID 55306878
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 55438061
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55584298
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
[2-(diethylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509189
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974292
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate (CID 55306794) is [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate is CCN(CC)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate?
The InChIKey is IXWANXLJEFOZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O6S/c1-4-24(5-2)20(25)14-30-21(26)16-8-11-18(29-3)19(12-16)31(27,28)23-13-15-6-9-17(22)10-7-15/h6-12,23H,4-5,13-14H2,1-3H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate?
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate has a molecular weight of 468.96 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate is sourced from PubChem (CID 55306794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).