ethyl 2-(N-propyl-2-sulfamoylanilino)acetate

C13H20N2O4S — CID 62007209

IUPACethyl 2-(N-propyl-2-sulfamoylanilino)acetate
SMILESCCCN(CC(=O)OCC)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-3-9-15(10-13(16)19-4-2)11-7-5-6-8-12(11)20(14,17)18/h5-8H,3-4,9-10H2,1-2H3,(H2,14,17,18)
InChIKeyIRAVFSMOAYCVME-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.11
Rot. Bonds7

About ethyl 2-(N-propyl-2-sulfamoylanilino)acetate

ethyl 2-(N-propyl-2-sulfamoylanilino)acetate (PubChem CID 62007209) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-(N-propyl-2-sulfamoylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-propyl-2-sulfamoylanilino)acetate
PubChem CID62007209
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-(N-propyl-2-sulfamoylanilino)acetate
SMILESCCCN(CC(=O)OCC)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-3-9-15(10-13(16)19-4-2)11-7-5-6-8-12(11)20(14,17)18/h5-8H,3-4,9-10H2,1-2H3,(H2,14,17,18)
InChIKeyIRAVFSMOAYCVME-UHFFFAOYSA-N
XLogP1.11
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-propyl-2-sulfamoylanilino)acetate?
The IUPAC name of ethyl 2-(N-propyl-2-sulfamoylanilino)acetate (CID 62007209) is ethyl 2-(N-propyl-2-sulfamoylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-propyl-2-sulfamoylanilino)acetate?
The canonical SMILES for ethyl 2-(N-propyl-2-sulfamoylanilino)acetate is CCCN(CC(=O)OCC)c1ccccc1S(N)(=O)=O.
What is the InChIKey of ethyl 2-(N-propyl-2-sulfamoylanilino)acetate?
The InChIKey is IRAVFSMOAYCVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-9-15(10-13(16)19-4-2)11-7-5-6-8-12(11)20(14,17)18/h5-8H,3-4,9-10H2,1-2H3,(H2,14,17,18).
What are the key properties of ethyl 2-(N-propyl-2-sulfamoylanilino)acetate?
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate has a molecular weight of 300.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-propyl-2-sulfamoylanilino)acetate is sourced from PubChem (CID 62007209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).