[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate

C23H21NO5S — CID 2926309

IUPAC[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate
SMILESCc1ccc(C(=O)C(OC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO5S/c1-17-12-14-18(15-13-17)22(26)23(19-8-4-2-5-9-19)29-21(25)16-24-30(27,28)20-10-6-3-7-11-20/h2-15,23-24H,16H2,1H3
InChIKeyRKRQSTFHGKSKSE-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.44
Rot. Bonds8

About [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate

[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate (PubChem CID 2926309) has the molecular formula C23H21NO5S and a molecular weight of 423.49 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate
PubChem CID2926309
Molecular FormulaC23H21NO5S
Molecular Weight423.49 g/mol
Exact Mass423.11
IUPAC Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate
SMILESCc1ccc(C(=O)C(OC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO5S/c1-17-12-14-18(15-13-17)22(26)23(19-8-4-2-5-9-19)29-21(25)16-24-30(27,28)20-10-6-3-7-11-20/h2-15,23-24H,16H2,1H3
InChIKeyRKRQSTFHGKSKSE-UHFFFAOYSA-N
XLogP3.44
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate (CID 2926309) is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate is Cc1ccc(C(=O)C(OC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate?
The InChIKey is RKRQSTFHGKSKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5S/c1-17-12-14-18(15-13-17)22(26)23(19-8-4-2-5-9-19)29-21(25)16-24-30(27,28)20-10-6-3-7-11-20/h2-15,23-24H,16H2,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate?
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate has a molecular weight of 423.49 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 2926309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).