[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate

C19H22N2O5S2 — CID 24981951

IUPAC[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1ccccc1
InChIInChI=1S/C19H22N2O5S2/c1-14-9-10-16(28(24,25)21(2)3)11-17(14)20-18(22)12-26-19(23)13-27-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyBKAPZXULQBAFTC-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.52
Rot. Bonds8

About [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate

[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate (PubChem CID 24981951) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate
PubChem CID24981951
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1ccccc1
InChIInChI=1S/C19H22N2O5S2/c1-14-9-10-16(28(24,25)21(2)3)11-17(14)20-18(22)12-26-19(23)13-27-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyBKAPZXULQBAFTC-UHFFFAOYSA-N
XLogP2.52
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate (CID 24981951) is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1ccccc1.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate?
The InChIKey is BKAPZXULQBAFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-14-9-10-16(28(24,25)21(2)3)11-17(14)20-18(22)12-26-19(23)13-27-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate?
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate has a molecular weight of 422.53 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate is sourced from PubChem (CID 24981951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).