ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate

C12H18N2O4S — CID 3546283

IUPACethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
SMILESCCOC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H18N2O4S/c1-4-18-12(15)10-14(19(16,17)13(2)3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeyHJOPVXPSBUPQEH-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.86
Rot. Bonds6

About ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate

ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate (PubChem CID 3546283) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
PubChem CID3546283
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Nameethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
SMILESCCOC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H18N2O4S/c1-4-18-12(15)10-14(19(16,17)13(2)3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeyHJOPVXPSBUPQEH-UHFFFAOYSA-N
XLogP0.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831
ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
CID 6456631
2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
CID 61456675
2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
CID 1289654
ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100524720
N-tert-butyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 3963871
2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 2711978
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
CID 50890872
N-(4-acetamidophenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 17201170
2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
CID 4600961
N,N-dimethylaniline;ethyl 2-aminoacetate
CID 174495467

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate?
The IUPAC name of ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate (CID 3546283) is ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate?
The canonical SMILES for ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate is CCOC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate?
The InChIKey is HJOPVXPSBUPQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-18-12(15)10-14(19(16,17)13(2)3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate?
ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate has a molecular weight of 286.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate is sourced from PubChem (CID 3546283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).