[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate

C20H23NO5S — CID 5038753

IUPAC[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCCc1ccc(C(=O)C(C)OC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO5S/c1-4-16-7-9-17(10-8-16)20(23)15(3)26-19(22)13-21-27(24,25)18-11-5-14(2)6-12-18/h5-12,15,21H,4,13H2,1-3H3
InChIKeyWOSSWBJLPIPWAI-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.65
Rot. Bonds8

About [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate

[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 5038753) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID5038753
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCCc1ccc(C(=O)C(C)OC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO5S/c1-4-16-7-9-17(10-8-16)20(23)15(3)26-19(22)13-21-27(24,25)18-11-5-14(2)6-12-18/h5-12,15,21H,4,13H2,1-3H3
InChIKeyWOSSWBJLPIPWAI-UHFFFAOYSA-N
XLogP2.65
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 5038753) is [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate is CCc1ccc(C(=O)C(C)OC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is WOSSWBJLPIPWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-4-16-7-9-17(10-8-16)20(23)15(3)26-19(22)13-21-27(24,25)18-11-5-14(2)6-12-18/h5-12,15,21H,4,13H2,1-3H3.
What are the key properties of [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 389.47 g/mol, XLogP of 2.65, 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] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 5038753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).