[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate

C16H21N3O6S — CID 7694446

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C16H21N3O6S/c1-3-18(4-2)26(23,24)13-7-5-6-12(10-13)15(21)25-11-14(20)19-9-8-17-16(19)22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,22)
InChIKeyJCPYTNZGPBGDAI-UHFFFAOYSA-N
MW383.43 g/mol
LogP0.43
Rot. Bonds7

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate (PubChem CID 7694446) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
PubChem CID7694446
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C16H21N3O6S/c1-3-18(4-2)26(23,24)13-7-5-6-12(10-13)15(21)25-11-14(20)19-9-8-17-16(19)22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,22)
InChIKeyJCPYTNZGPBGDAI-UHFFFAOYSA-N
XLogP0.43
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768116
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 55313381
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 16521313
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(dimethylamino)benzoate
CID 8533602
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506165
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557461
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
CID 7783725
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate (CID 7694446) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC2=O)c1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate?
The InChIKey is JCPYTNZGPBGDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c1-3-18(4-2)26(23,24)13-7-5-6-12(10-13)15(21)25-11-14(20)19-9-8-17-16(19)22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,22).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate has a molecular weight of 383.43 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 7694446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).