[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate

C24H23ClN2O5S — CID 2577371

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C24H23ClN2O5S/c1-26(16-18-9-5-3-6-10-18)23(28)17-32-24(29)21-15-20(13-14-22(21)25)33(30,31)27(2)19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3
InChIKeyHTUBGTCDRDZHPC-UHFFFAOYSA-N
MW486.98 g/mol
LogP3.98
Rot. Bonds8

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2577371) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2577371
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C24H23ClN2O5S/c1-26(16-18-9-5-3-6-10-18)23(28)17-32-24(29)21-15-20(13-14-22(21)25)33(30,31)27(2)19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3
InChIKeyHTUBGTCDRDZHPC-UHFFFAOYSA-N
XLogP3.98
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 46792473
methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 2577257
[2-(2-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
CID 29243383
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557613
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2419733
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16533456
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42003252
[2-(dimethylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 7981376
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 31729782
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 23879687
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2577281

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate (CID 2577371) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate is CN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is HTUBGTCDRDZHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-26(16-18-9-5-3-6-10-18)23(28)17-32-24(29)21-15-20(13-14-22(21)25)33(30,31)27(2)19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 486.98 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2577371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).