[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate

C19H20ClNO7S — CID 30033969

IUPAC[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C19H20ClNO7S/c1-12-4-7-16(17(8-12)26-2)27-11-19(23)28-10-18(22)21-15-9-13(29(3,24)25)5-6-14(15)20/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyDFQRKUXEHGSZJP-UHFFFAOYSA-N
MW441.89 g/mol
LogP2.62
Rot. Bonds8

About [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate

[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate (PubChem CID 30033969) has the molecular formula C19H20ClNO7S and a molecular weight of 441.89 g/mol. Its IUPAC name is [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
PubChem CID30033969
Molecular FormulaC19H20ClNO7S
Molecular Weight441.89 g/mol
Exact Mass441.06
IUPAC Name[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C19H20ClNO7S/c1-12-4-7-16(17(8-12)26-2)27-11-19(23)28-10-18(22)21-15-9-13(29(3,24)25)5-6-14(15)20/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyDFQRKUXEHGSZJP-UHFFFAOYSA-N
XLogP2.62
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 17418585
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234832
N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17359240
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 4611431
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2662050
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601
[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 29342398
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The IUPAC name of [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate (CID 30033969) is [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate.
What is the SMILES notation for [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The canonical SMILES for [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate is COc1cc(C)ccc1OCC(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The InChIKey is DFQRKUXEHGSZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO7S/c1-12-4-7-16(17(8-12)26-2)27-11-19(23)28-10-18(22)21-15-9-13(29(3,24)25)5-6-14(15)20/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate has a molecular weight of 441.89 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate is sourced from PubChem (CID 30033969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).