ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate

C22H21NO4S — CID 3703536

IUPACethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO4S/c1-2-27-22(24)21(19-11-7-4-8-12-19)23-28(25,26)20-15-13-18(14-16-20)17-9-5-3-6-10-17/h3-16,21,23H,2H2,1H3
InChIKeyRIVNXTHMFVTZPU-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.94
Rot. Bonds7

About ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate

ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate (PubChem CID 3703536) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
PubChem CID3703536
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Nameethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO4S/c1-2-27-22(24)21(19-11-7-4-8-12-19)23-28(25,26)20-15-13-18(14-16-20)17-9-5-3-6-10-17/h3-16,21,23H,2H2,1H3
InChIKeyRIVNXTHMFVTZPU-UHFFFAOYSA-N
XLogP3.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
CID 5009964
ethyl 2-[(4-butoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3688454
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
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
CID 3676370
(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
CID 102010985
ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375482
ethyl (2S,3R)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375481
ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3840083

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate (CID 3703536) is ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate is CCOC(=O)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate?
The InChIKey is RIVNXTHMFVTZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-2-27-22(24)21(19-11-7-4-8-12-19)23-28(25,26)20-15-13-18(14-16-20)17-9-5-3-6-10-17/h3-16,21,23H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate?
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate has a molecular weight of 395.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3703536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).