[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate

C17H20N2O5S2 — CID 4570540

IUPAC[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O5S2/c1-12-4-5-14(9-15(12)26(22,23)19(2)3)18-16(20)10-24-17(21)8-13-6-7-25-11-13/h4-7,9,11H,8,10H2,1-3H3,(H,18,20)
InChIKeyWAAIQSJNBZCLAD-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.03
Rot. Bonds7

About [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 4570540) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID4570540
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O5S2/c1-12-4-5-14(9-15(12)26(22,23)19(2)3)18-16(20)10-24-17(21)8-13-6-7-25-11-13/h4-7,9,11H,8,10H2,1-3H3,(H,18,20)
InChIKeyWAAIQSJNBZCLAD-UHFFFAOYSA-N
XLogP2.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 4570540) is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate is Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is WAAIQSJNBZCLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-12-4-5-14(9-15(12)26(22,23)19(2)3)18-16(20)10-24-17(21)8-13-6-7-25-11-13/h4-7,9,11H,8,10H2,1-3H3,(H,18,20).
What are the key properties of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 396.49 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 4570540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).