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

C17H19NO4S — CID 67891408

IUPACethyl (2R)-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-/m1/s1
InChIKeyVJXHDZRODBOXNZ-MRXNPFEDSA-N
MW333.41 g/mol
LogP2.58
Rot. Bonds6

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

ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate (PubChem CID 67891408) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
PubChem CID67891408
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Nameethyl (2R)-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-/m1/s1
InChIKeyVJXHDZRODBOXNZ-MRXNPFEDSA-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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Related Compounds

ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
CID 5009964
ethylsulfanyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67587191
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
ethyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 13360721
ethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 11089671
ethyl 2-[(4-butoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3688454
(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
CID 102010985
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
CID 102462805
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 14352064
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
CID 23659117

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate (CID 67891408) is ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
The InChIKey is VJXHDZRODBOXNZ-MRXNPFEDSA-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-/m1/s1.
What are the key properties of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate?
ethyl (2R)-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 (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 67891408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).