(2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate

C18H19NO6S — CID 43023400

IUPAC(2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1cccc(C(=O)OC(C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C18H19NO6S/c1-3-19-26(22,23)15-11-7-10-14(12-15)17(20)25-16(18(21)24-2)13-8-5-4-6-9-13/h4-12,16,19H,3H2,1-2H3
InChIKeyHCOQRUYCHWFXFR-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.06
Rot. Bonds7

About (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate

(2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate (PubChem CID 43023400) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate
PubChem CID43023400
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name(2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1cccc(C(=O)OC(C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C18H19NO6S/c1-3-19-26(22,23)15-11-7-10-14(12-15)17(20)25-16(18(21)24-2)13-8-5-4-6-9-13/h4-12,16,19H,3H2,1-2H3
InChIKeyHCOQRUYCHWFXFR-UHFFFAOYSA-N
XLogP2.06
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
[1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate
CID 43015088
3-(benzenesulfonyl)propyl 3-(ethylsulfamoyl)benzoate
CID 55821713
1-phenylethyl 3-(benzylsulfamoyl)benzoate
CID 16520938
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
CID 8641481
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 55312971
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(methylsulfamoyl)benzoate
CID 2441225
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
CID 42900495
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 3-(dimethylsulfamoyl)benzoate
CID 9416369
[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(ethylsulfamoyl)benzoate
CID 42900493
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(methylsulfamoyl)benzoate
CID 2646873

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate?
The IUPAC name of (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate (CID 43023400) is (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate.
What is the SMILES notation for (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate?
The canonical SMILES for (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1cccc(C(=O)OC(C(=O)OC)c2ccccc2)c1.
What is the InChIKey of (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate?
The InChIKey is HCOQRUYCHWFXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-3-19-26(22,23)15-11-7-10-14(12-15)17(20)25-16(18(21)24-2)13-8-5-4-6-9-13/h4-12,16,19H,3H2,1-2H3.
What are the key properties of (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate?
(2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate has a molecular weight of 377.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 43023400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).