ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate

C17H19NO4S — CID 3872198

IUPACethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO4S/c1-3-22-17(19)16(14-7-5-4-6-8-14)18-23(20,21)15-11-9-13(2)10-12-15/h4-12,16,18H,3H2,1-2H3
InChIKeyVJXHDZRODBOXNZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.58
Rot. Bonds6

About ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate

ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate (PubChem CID 3872198) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
PubChem CID3872198
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Nameethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO4S/c1-3-22-17(19)16(14-7-5-4-6-8-14)18-23(20,21)15-11-9-13(2)10-12-15/h4-12,16,18H,3H2,1-2H3
InChIKeyVJXHDZRODBOXNZ-UHFFFAOYSA-N
XLogP2.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate (CID 3872198) is ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is CCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
The InChIKey is VJXHDZRODBOXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-22-17(19)16(14-7-5-4-6-8-14)18-23(20,21)15-11-9-13(2)10-12-15/h4-12,16,18H,3H2,1-2H3.
What are the key properties of ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate has a molecular weight of 333.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 3872198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).