[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate

C17H15Cl2N3O6S — CID 2544450

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2N3O6S/c1-20-17(25)21-15(23)9-28-16(24)11-4-2-3-5-13(11)22-29(26,27)14-8-10(18)6-7-12(14)19/h2-8,22H,9H2,1H3,(H2,20,21,23,25)
InChIKeyMMTUWUIVUJOSPY-UHFFFAOYSA-N
MW460.30 g/mol
LogP2.41
Rot. Bonds6

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate (PubChem CID 2544450) has the molecular formula C17H15Cl2N3O6S and a molecular weight of 460.30 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
PubChem CID2544450
Molecular FormulaC17H15Cl2N3O6S
Molecular Weight460.30 g/mol
Exact Mass459.01
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2N3O6S/c1-20-17(25)21-15(23)9-28-16(24)11-4-2-3-5-13(11)22-29(26,27)14-8-10(18)6-7-12(14)19/h2-8,22H,9H2,1H3,(H2,20,21,23,25)
InChIKeyMMTUWUIVUJOSPY-UHFFFAOYSA-N
XLogP2.41
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.30
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate 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-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2544477
[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724769
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 2447925
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2116604
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
[2-(2-acetylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 30104288
[2-(methylcarbamoylamino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 4650274
[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509553
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 41153767
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate (CID 2544450) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate is CNC(=O)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The InChIKey is MMTUWUIVUJOSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O6S/c1-20-17(25)21-15(23)9-28-16(24)11-4-2-3-5-13(11)22-29(26,27)14-8-10(18)6-7-12(14)19/h2-8,22H,9H2,1H3,(H2,20,21,23,25).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate has a molecular weight of 460.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2544450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).