ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate

C12H18N2O4S — CID 62006834

IUPACethyl 2-(N-ethyl-4-sulfamoylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-3-14(9-12(15)18-4-2)10-5-7-11(8-6-10)19(13,16)17/h5-8H,3-4,9H2,1-2H3,(H2,13,16,17)
InChIKeySSVYHCCOUVMITK-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.72
Rot. Bonds6

About ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate

ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate (PubChem CID 62006834) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-ethyl-4-sulfamoylanilino)acetate
PubChem CID62006834
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Nameethyl 2-(N-ethyl-4-sulfamoylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-3-14(9-12(15)18-4-2)10-5-7-11(8-6-10)19(13,16)17/h5-8H,3-4,9H2,1-2H3,(H2,13,16,17)
InChIKeySSVYHCCOUVMITK-UHFFFAOYSA-N
XLogP0.72
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209
ethyl 2-(N-ethyl-3-methyl-5-nitroanilino)acetate
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ethyl 2-(2-amino-N-ethylanilino)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate?
The IUPAC name of ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate (CID 62006834) is ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate?
The canonical SMILES for ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate is CCOC(=O)CN(CC)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate?
The InChIKey is SSVYHCCOUVMITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-14(9-12(15)18-4-2)10-5-7-11(8-6-10)19(13,16)17/h5-8H,3-4,9H2,1-2H3,(H2,13,16,17).
What are the key properties of ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate?
ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate has a molecular weight of 286.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate is sourced from PubChem (CID 62006834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).