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

C15H20N2O5S — CID 7873214

IUPAC[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C15H20N2O5S/c1-10-4-7-12(23(20,21)17(2)3)8-13(10)16-14(18)9-22-15(19)11-5-6-11/h4,7-8,11H,5-6,9H2,1-3H3,(H,16,18)
InChIKeyWAUGXXCIBLBDEP-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.14
Rot. Bonds6

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

[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 7873214) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID7873214
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C15H20N2O5S/c1-10-4-7-12(23(20,21)17(2)3)8-13(10)16-14(18)9-22-15(19)11-5-6-11/h4,7-8,11H,5-6,9H2,1-3H3,(H,16,18)
InChIKeyWAUGXXCIBLBDEP-UHFFFAOYSA-N
XLogP1.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate (CID 7873214) is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CC1.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is WAUGXXCIBLBDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10-4-7-12(23(20,21)17(2)3)8-13(10)16-14(18)9-22-15(19)11-5-6-11/h4,7-8,11H,5-6,9H2,1-3H3,(H,16,18).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 340.40 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 7873214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).