(2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate

C17H18N2O5S — CID 47017349

IUPAC(2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate
SMILESNC(=O)C(OC(=O)CNS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O5S/c18-17(21)16(14-9-5-2-6-10-14)24-15(20)11-19-25(22,23)12-13-7-3-1-4-8-13/h1-10,16,19H,11-12H2,(H2,18,21)
InChIKeyNLXPZFOHHADMAC-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.88
Rot. Bonds8

About (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate

(2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate (PubChem CID 47017349) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate
PubChem CID47017349
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate
SMILESNC(=O)C(OC(=O)CNS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O5S/c18-17(21)16(14-9-5-2-6-10-14)24-15(20)11-19-25(22,23)12-13-7-3-1-4-8-13/h1-10,16,19H,11-12H2,(H2,18,21)
InChIKeyNLXPZFOHHADMAC-UHFFFAOYSA-N
XLogP0.88
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-amino-2-oxo-1-phenylethyl] 2-[(1-hydroxybenzotriazol-5-yl)sulfonylamino]acetate
CID 92845366
2-(benzylsulfonylamino)ethanethioamide
CID 61127504
1,3-benzothiazol-2-ylmethyl 2-(benzylsulfonylamino)acetate
CID 31706891
(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 16596540
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate
CID 16595235
(2-amino-2-oxo-1-phenylethyl) methanesulfonate
CID 57276683
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
2-[4-(benzylsulfonylamino)phenyl]-2-hydroxyacetamide
CID 89464651
(benzylsulfonylamino)urea
CID 21225494
(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate
CID 110671021
N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide
CID 121112268

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate (CID 47017349) is (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate is NC(=O)C(OC(=O)CNS(=O)(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate?
The InChIKey is NLXPZFOHHADMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c18-17(21)16(14-9-5-2-6-10-14)24-15(20)11-19-25(22,23)12-13-7-3-1-4-8-13/h1-10,16,19H,11-12H2,(H2,18,21).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate?
(2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate has a molecular weight of 362.41 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate is sourced from PubChem (CID 47017349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).