[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate

C20H23ClN2O7S — CID 16513385

IUPAC[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(Cl)c1OC
InChIInChI=1S/C20H23ClN2O7S/c1-12-6-7-14(10-17(12)31(26,27)23(2)3)22-18(24)11-30-20(25)13-8-15(21)19(29-5)16(9-13)28-4/h6-10H,11H2,1-5H3,(H,22,24)
InChIKeyLQMYOIXVLXNIEH-UHFFFAOYSA-N
MW470.93 g/mol
LogP2.71
Rot. Bonds8

About [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate

[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate (PubChem CID 16513385) has the molecular formula C20H23ClN2O7S and a molecular weight of 470.93 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
PubChem CID16513385
Molecular FormulaC20H23ClN2O7S
Molecular Weight470.93 g/mol
Exact Mass470.09
IUPAC Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(Cl)c1OC
InChIInChI=1S/C20H23ClN2O7S/c1-12-6-7-14(10-17(12)31(26,27)23(2)3)22-18(24)11-30-20(25)13-8-15(21)19(29-5)16(9-13)28-4/h6-10H,11H2,1-5H3,(H,22,24)
InChIKeyLQMYOIXVLXNIEH-UHFFFAOYSA-N
XLogP2.71
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46626719
4-O-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506458
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665383
[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681395
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18149649
[2-(4-carbamoylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499683
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513388
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 42965162
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 3907126
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18166231
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 41229452
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 3282843

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate (CID 16513385) is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate is COc1cc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(Cl)c1OC.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The InChIKey is LQMYOIXVLXNIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O7S/c1-12-6-7-14(10-17(12)31(26,27)23(2)3)22-18(24)11-30-20(25)13-8-15(21)19(29-5)16(9-13)28-4/h6-10H,11H2,1-5H3,(H,22,24).
What are the key properties of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate has a molecular weight of 470.93 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate is sourced from PubChem (CID 16513385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).