[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate

C21H23NO5S — CID 43025432

IUPAC[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
SMILESCCc1ccc(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1
InChIInChI=1S/C21H23NO5S/c1-3-15-7-9-16(10-8-15)20(23)14(2)27-21(24)17-5-4-6-19(13-17)28(25,26)22-18-11-12-18/h4-10,13-14,18,22H,3,11-12H2,1-2H3
InChIKeyOQGFBBFXYSLRLJ-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.12
Rot. Bonds8

About [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate

[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate (PubChem CID 43025432) has the molecular formula C21H23NO5S and a molecular weight of 401.48 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
PubChem CID43025432
Molecular FormulaC21H23NO5S
Molecular Weight401.48 g/mol
Exact Mass401.13
IUPAC Name[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
SMILESCCc1ccc(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1
InChIInChI=1S/C21H23NO5S/c1-3-15-7-9-16(10-8-15)20(23)14(2)27-21(24)17-5-4-6-19(13-17)28(25,26)22-18-11-12-18/h4-10,13-14,18,22H,3,11-12H2,1-2H3
InChIKeyOQGFBBFXYSLRLJ-UHFFFAOYSA-N
XLogP3.12
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate with MolForge

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Related Compounds

[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)benzoate
CID 7694452
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46625737
[1-(4-bromoanilino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809117
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809147
1-pyridin-4-ylethyl 3-(cyclopropylsulfamoyl)benzoate
CID 56793355
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768294
4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)benzoate
CID 7975428
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)benzoate
CID 7975429
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7752998

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate (CID 43025432) is [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate is CCc1ccc(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is OQGFBBFXYSLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5S/c1-3-15-7-9-16(10-8-15)20(23)14(2)27-21(24)17-5-4-6-19(13-17)28(25,26)22-18-11-12-18/h4-10,13-14,18,22H,3,11-12H2,1-2H3.
What are the key properties of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate?
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 401.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 43025432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).