tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate

C14H21NO4S — CID 81005292

IUPACtert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate
SMILESCCS(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-5-20(17,18)15-12(11-9-7-6-8-10-11)13(16)19-14(2,3)4/h6-10,12,15H,5H2,1-4H3/t12-/m1/s1
InChIKeyNTCHNBMONHSQIX-GFCCVEGCSA-N
MW299.39 g/mol
LogP2.01
Rot. Bonds5

About tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate

tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate (PubChem CID 81005292) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate
PubChem CID81005292
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Nametert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate
SMILESCCS(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-5-20(17,18)15-12(11-9-7-6-8-10-11)13(16)19-14(2,3)4/h6-10,12,15H,5H2,1-4H3/t12-/m1/s1
InChIKeyNTCHNBMONHSQIX-GFCCVEGCSA-N
XLogP2.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(cyanomethylsulfonylamino)-2-phenylacetate
CID 115539478
tert-butyl (2R)-2-(difluoromethylsulfonylamino)-2-phenylacetate
CID 80999965
tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate
CID 115539468
2-(ethylsulfonylamino)-2-phenylethanethioamide
CID 61121905
tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate
CID 122135691
(2S)-2-(ethylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
CID 110286664
tert-butyl (2R)-2-(but-3-enoylamino)-2-phenylacetate
CID 115539441
tert-butyl 2-[(3-amino-2-oxohexanoyl)amino]-2-phenylacetate
CID 70838359
tert-butyl (2R)-2-(3-methylbut-2-enoylamino)-2-phenylacetate
CID 80997776
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
CID 5009964
tert-butyl 3-chloro-3-oxo-2-phenylpropanoate
CID 20529658

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate?
The IUPAC name of tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate (CID 81005292) is tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate.
What is the SMILES notation for tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate?
The canonical SMILES for tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate is CCS(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate?
The InChIKey is NTCHNBMONHSQIX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-5-20(17,18)15-12(11-9-7-6-8-10-11)13(16)19-14(2,3)4/h6-10,12,15H,5H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate?
tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate has a molecular weight of 299.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate is sourced from PubChem (CID 81005292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).