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

C17H19NO4S — CID 67891407

IUPACethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
SMILESCCOC(=O)[C@@H](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/t16-/m0/s1
InChIKeyVJXHDZRODBOXNZ-INIZCTEOSA-N
MW333.41 g/mol
LogP2.58
Rot. Bonds6

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

ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate (PubChem CID 67891407) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
PubChem CID67891407
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Nameethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
SMILESCCOC(=O)[C@@H](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/t16-/m0/s1
InChIKeyVJXHDZRODBOXNZ-INIZCTEOSA-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

Analyze ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
The IUPAC name of ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate (CID 67891407) is ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
The InChIKey is VJXHDZRODBOXNZ-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
ethyl (2S)-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 (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 67891407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).