(2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate

C23H21NO5S — CID 2934405

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

About (2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate

(2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2934405) has the molecular formula C23H21NO5S and a molecular weight of 423.49 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2934405
Molecular FormulaC23H21NO5S
Molecular Weight423.49 g/mol
Exact Mass423.11
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO5S/c1-17-12-14-20(15-13-17)30(27,28)24-16-21(25)29-23(19-10-6-3-7-11-19)22(26)18-8-4-2-5-9-18/h2-15,23-24H,16H2,1H3
InChIKeyNXNCCPMOSOUVJF-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-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2934405) is (2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is NXNCCPMOSOUVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5S/c1-17-12-14-20(15-13-17)30(27,28)24-16-21(25)29-23(19-10-6-3-7-11-19)22(26)18-8-4-2-5-9-18/h2-15,23-24H,16H2,1H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate?
(2-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]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-oxo-1,2-diphenylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2934405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).