[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate

C19H30N2O5S — CID 2505781

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C19H30N2O5S/c1-7-20(8-2)27(24,25)17-11-9-10-16(12-17)19(23)26-13-18(22)21(14(3)4)15(5)6/h9-12,14-15H,7-8,13H2,1-6H3
InChIKeyCIXYRPYRGPUJBL-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.52
Rot. Bonds9

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate (PubChem CID 2505781) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
PubChem CID2505781
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C19H30N2O5S/c1-7-20(8-2)27(24,25)17-11-9-10-16(12-17)19(23)26-13-18(22)21(14(3)4)15(5)6/h9-12,14-15H,7-8,13H2,1-6H3
InChIKeyCIXYRPYRGPUJBL-UHFFFAOYSA-N
XLogP2.52
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506165
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960641
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2689622
[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 3991647
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 55313381
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-iodobenzoate
CID 2394042
[(1R)-1-cyanoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505878
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505649

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate (CID 2505781) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)c1.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate?
The InChIKey is CIXYRPYRGPUJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-7-20(8-2)27(24,25)17-11-9-10-16(12-17)19(23)26-13-18(22)21(14(3)4)15(5)6/h9-12,14-15H,7-8,13H2,1-6H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate has a molecular weight of 398.53 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2505781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).