[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate

C19H21ClN2O6S2 — CID 42976920

IUPAC[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O6S2/c1-22(2)30(25,26)13-8-9-16(27-3)15(10-13)21-18(23)11-28-19(24)12-29-17-7-5-4-6-14(17)20/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyKBBNCSNBNGSINZ-UHFFFAOYSA-N
MW472.97 g/mol
LogP2.87
Rot. Bonds9

About [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate

[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate (PubChem CID 42976920) has the molecular formula C19H21ClN2O6S2 and a molecular weight of 472.97 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
PubChem CID42976920
Molecular FormulaC19H21ClN2O6S2
Molecular Weight472.97 g/mol
Exact Mass472.05
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O6S2/c1-22(2)30(25,26)13-8-9-16(27-3)15(10-13)21-18(23)11-28-19(24)12-29-17-7-5-4-6-14(17)20/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyKBBNCSNBNGSINZ-UHFFFAOYSA-N
XLogP2.87
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,6-dichlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 18777757
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489147
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
2-(2-bromophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 4795217
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7670665
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4792679
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 35563802
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 4234348
[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30390177
2-(2-acetamidophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 7873856
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethylbenzoate
CID 7364669

Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate (CID 42976920) is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1ccccc1Cl.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
The InChIKey is KBBNCSNBNGSINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S2/c1-22(2)30(25,26)13-8-9-16(27-3)15(10-13)21-18(23)11-28-19(24)12-29-17-7-5-4-6-14(17)20/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate has a molecular weight of 472.97 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 42976920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).