(1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate

C18H19NO5S — CID 3442790

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO5S/c1-13-8-10-16(11-9-13)25(22,23)19-12-17(20)24-14(2)18(21)15-6-4-3-5-7-15/h3-11,14,19H,12H2,1-2H3
InChIKeyWFZBIGGVOBTRRO-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.09
Rot. Bonds7

About (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate

(1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 3442790) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID3442790
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO5S/c1-13-8-10-16(11-9-13)25(22,23)19-12-17(20)24-14(2)18(21)15-6-4-3-5-7-15/h3-11,14,19H,12H2,1-2H3
InChIKeyWFZBIGGVOBTRRO-UHFFFAOYSA-N
XLogP2.09
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate (CID 3442790) is (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OC(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is WFZBIGGVOBTRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-13-8-10-16(11-9-13)25(22,23)19-12-17(20)24-14(2)18(21)15-6-4-3-5-7-15/h3-11,14,19H,12H2,1-2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate?
(1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 361.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3442790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).