[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate

C16H24N2O5S — CID 42900495

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
SMILESCCCC(C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCC)c1
InChIInChI=1S/C16H24N2O5S/c1-4-7-12(3)18-15(19)11-23-16(20)13-8-6-9-14(10-13)24(21,22)17-5-2/h6,8-10,12,17H,4-5,7,11H2,1-3H3,(H,18,19)
InChIKeyUURGWHWTGUSFMM-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.45
Rot. Bonds9

About [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate

[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate (PubChem CID 42900495) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
PubChem CID42900495
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
SMILESCCCC(C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCC)c1
InChIInChI=1S/C16H24N2O5S/c1-4-7-12(3)18-15(19)11-23-16(20)13-8-6-9-14(10-13)24(21,22)17-5-2/h6,8-10,12,17H,4-5,7,11H2,1-3H3,(H,18,19)
InChIKeyUURGWHWTGUSFMM-UHFFFAOYSA-N
XLogP1.45
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 55312971
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976486
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247756
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247757
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
CID 18073982
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(propylsulfamoyl)benzoate
CID 7537079
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960640
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-pyrrol-1-ylbenzoate
CID 18199730
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-methylsulfonylbenzoate
CID 2528846

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate (CID 42900495) is [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate is CCCC(C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCC)c1.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate?
The InChIKey is UURGWHWTGUSFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-4-7-12(3)18-15(19)11-23-16(20)13-8-6-9-14(10-13)24(21,22)17-5-2/h6,8-10,12,17H,4-5,7,11H2,1-3H3,(H,18,19).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate has a molecular weight of 356.44 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 42900495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).