[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C18H19ClN2O6S — CID 4256696

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O6S/c1-12-3-6-14(7-4-12)28(24,25)20-10-18(23)27-11-17(22)21-15-9-13(19)5-8-16(15)26-2/h3-9,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyFTWLLGJUYFFXPT-UHFFFAOYSA-N
MW426.88 g/mol
LogP2.12
Rot. Bonds8

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 4256696) has the molecular formula C18H19ClN2O6S and a molecular weight of 426.88 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID4256696
Molecular FormulaC18H19ClN2O6S
Molecular Weight426.88 g/mol
Exact Mass426.07
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O6S/c1-12-3-6-14(7-4-12)28(24,25)20-10-18(23)27-11-17(22)21-15-9-13(19)5-8-16(15)26-2/h3-9,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyFTWLLGJUYFFXPT-UHFFFAOYSA-N
XLogP2.12
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602596
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596364
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3572885
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4072962
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961701
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954053
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596098
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234623
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596101
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596471
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925331

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 4256696) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is COc1ccc(Cl)cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is FTWLLGJUYFFXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6S/c1-12-3-6-14(7-4-12)28(24,25)20-10-18(23)27-11-17(22)21-15-9-13(19)5-8-16(15)26-2/h3-9,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 426.88 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 4256696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).