[2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate

C14H19BrN2O5S — CID 7975269

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate
SMILESCC(C)NC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H19BrN2O5S/c1-9(2)16-13(18)8-22-14(19)10-5-6-11(15)12(7-10)23(20,21)17(3)4/h5-7,9H,8H2,1-4H3,(H,16,18)
InChIKeyFQUQJSSVGOLOMH-UHFFFAOYSA-N
MW407.29 g/mol
LogP1.38
Rot. Bonds6

About [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate (PubChem CID 7975269) has the molecular formula C14H19BrN2O5S and a molecular weight of 407.29 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate
PubChem CID7975269
Molecular FormulaC14H19BrN2O5S
Molecular Weight407.29 g/mol
Exact Mass406.02
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate
SMILESCC(C)NC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H19BrN2O5S/c1-9(2)16-13(18)8-22-14(19)10-5-6-11(15)12(7-10)23(20,21)17(3)4/h5-7,9H,8H2,1-4H3,(H,16,18)
InChIKeyFQUQJSSVGOLOMH-UHFFFAOYSA-N
XLogP1.38
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxopropyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 7975289
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9476078
[2-oxo-2-(propan-2-ylamino)ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510512
(4-carbamoylphenyl)methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 26961474
[2-oxo-2-(propan-2-ylamino)ethyl] 1,3-benzodioxole-5-carboxylate
CID 2556610
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602452
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromo-5-fluorobenzoate
CID 8987106
(3-methylphenyl)methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 40613741
[2-oxo-2-(propan-2-ylamino)ethyl] 3-amino-4-methylbenzoate
CID 60665621
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromobenzoate
CID 2416256
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960640
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 32974340

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate (CID 7975269) is [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate is CC(C)NC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate?
The InChIKey is FQUQJSSVGOLOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O5S/c1-9(2)16-13(18)8-22-14(19)10-5-6-11(15)12(7-10)23(20,21)17(3)4/h5-7,9H,8H2,1-4H3,(H,16,18).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate has a molecular weight of 407.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 7975269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).