[1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate

C15H22N2O5S — CID 43015088

IUPAC[1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate
SMILESCCCNC(=O)C(C)OC(=O)c1cccc(S(=O)(=O)NCC)c1
InChIInChI=1S/C15H22N2O5S/c1-4-9-16-14(18)11(3)22-15(19)12-7-6-8-13(10-12)23(20,21)17-5-2/h6-8,10-11,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyGEAQQNIWXHNSAL-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.06
Rot. Bonds8

About [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate

[1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate (PubChem CID 43015088) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate
PubChem CID43015088
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate
SMILESCCCNC(=O)C(C)OC(=O)c1cccc(S(=O)(=O)NCC)c1
InChIInChI=1S/C15H22N2O5S/c1-4-9-16-14(18)11(3)22-15(19)12-7-6-8-13(10-12)23(20,21)17-5-2/h6-8,10-11,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyGEAQQNIWXHNSAL-UHFFFAOYSA-N
XLogP1.06
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(propylsulfamoyl)benzoate
CID 8884408
[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(ethylsulfamoyl)benzoate
CID 42900493
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 8520594
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate
CID 8987349
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(ethylsulfamoyl)benzoate
CID 124828504
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(propylsulfamoyl)benzoate
CID 18226146
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(propylsulfamoyl)benzoate
CID 7536967
(2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate
CID 43023400
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603
[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate
CID 18090823
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
CID 42900495
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 8954782

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate?
The IUPAC name of [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate (CID 43015088) is [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate?
The canonical SMILES for [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate is CCCNC(=O)C(C)OC(=O)c1cccc(S(=O)(=O)NCC)c1.
What is the InChIKey of [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate?
The InChIKey is GEAQQNIWXHNSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-4-9-16-14(18)11(3)22-15(19)12-7-6-8-13(10-12)23(20,21)17-5-2/h6-8,10-11,17H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate?
[1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate has a molecular weight of 342.42 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 43015088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).