[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

C18H18Cl2N2O6S — CID 55324559

IUPAC[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O6S/c1-11(18(24)22-15-5-3-4-6-16(15)27-2)28-17(23)10-21-29(25,26)12-7-8-13(19)14(20)9-12/h3-9,11,21H,10H2,1-2H3,(H,22,24)
InChIKeyRPRKVRHBKMFDGK-UHFFFAOYSA-N
MW461.32 g/mol
LogP2.85
Rot. Bonds8

About [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (PubChem CID 55324559) has the molecular formula C18H18Cl2N2O6S and a molecular weight of 461.32 g/mol. Its IUPAC name is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
PubChem CID55324559
Molecular FormulaC18H18Cl2N2O6S
Molecular Weight461.32 g/mol
Exact Mass460.03
IUPAC Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O6S/c1-11(18(24)22-15-5-3-4-6-16(15)27-2)28-17(23)10-21-29(25,26)12-7-8-13(19)14(20)9-12/h3-9,11,21H,10H2,1-2H3,(H,22,24)
InChIKeyRPRKVRHBKMFDGK-UHFFFAOYSA-N
XLogP2.85
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate 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

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925115
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46621713
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)acetate
CID 18275205
(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794901
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 42969466
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
CID 7851261
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2635372
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 51946841
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)acetate
CID 8736140
[1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 6244851
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (CID 55324559) is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is COc1ccccc1NC(=O)C(C)OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is RPRKVRHBKMFDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O6S/c1-11(18(24)22-15-5-3-4-6-16(15)27-2)28-17(23)10-21-29(25,26)12-7-8-13(19)14(20)9-12/h3-9,11,21H,10H2,1-2H3,(H,22,24).
What are the key properties of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 461.32 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 55324559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).