ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate

C14H21NO4S — CID 103952156

IUPACethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate
SMILESCCOC(=O)C(NC(C)CS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-4-19-14(16)13(12-8-6-5-7-9-12)15-11(2)10-20(3,17)18/h5-9,11,13,15H,4,10H2,1-3H3
InChIKeyBMVHLADSIZGDRC-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.31
Rot. Bonds7

About ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate

ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate (PubChem CID 103952156) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate
PubChem CID103952156
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Nameethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate
SMILESCCOC(=O)C(NC(C)CS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-4-19-14(16)13(12-8-6-5-7-9-12)15-11(2)10-20(3,17)18/h5-9,11,13,15H,4,10H2,1-3H3
InChIKeyBMVHLADSIZGDRC-UHFFFAOYSA-N
XLogP1.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-1-methylsulfonylpropan-2-amine
CID 64629502
ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate
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ethyl 2-[1-(furan-2-yl)ethylamino]-2-phenylacetate
CID 103604487
ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
CID 106677258
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
ethyl (2S)-2-phenylpropanoate
CID 7204861
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate?
The IUPAC name of ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate (CID 103952156) is ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate is CCOC(=O)C(NC(C)CS(C)(=O)=O)c1ccccc1.
What is the InChIKey of ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate?
The InChIKey is BMVHLADSIZGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-19-14(16)13(12-8-6-5-7-9-12)15-11(2)10-20(3,17)18/h5-9,11,13,15H,4,10H2,1-3H3.
What are the key properties of ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate?
ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate has a molecular weight of 299.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate is sourced from PubChem (CID 103952156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).