ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate

C12H16N2O5S — CID 95561819

IUPACethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O5S/c1-3-19-11(15)8-13-12(16)14-20(17,18)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,13,14,16)
InChIKeyQMMQYZVIGROHJP-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.55
Rot. Bonds5

About ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate

ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate (PubChem CID 95561819) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
PubChem CID95561819
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Nameethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O5S/c1-3-19-11(15)8-13-12(16)14-20(17,18)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,13,14,16)
InChIKeyQMMQYZVIGROHJP-UHFFFAOYSA-N
XLogP0.55
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110747288
ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate
CID 134112880
ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate
CID 108893109
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
CID 19387723
ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
CID 60812284
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea
CID 110291410
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
(4-methylphenyl)sulfonylurea;urea
CID 160676948
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate (CID 95561819) is ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate?
The InChIKey is QMMQYZVIGROHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-3-19-11(15)8-13-12(16)14-20(17,18)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,13,14,16).
What are the key properties of ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate?
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate has a molecular weight of 300.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate is sourced from PubChem (CID 95561819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).