methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate

C18H16N2O4S — CID 74225728

IUPACmethyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C18H16N2O4S/c1-24-18(21)17(14-7-3-2-4-8-14)20-25(22,23)15-11-5-9-13-10-6-12-19-16(13)15/h2-12,17,20H,1H3/t17-/m1/s1
InChIKeyYGDVMIGMXYKCQZ-QGZVFWFLSA-N
MW356.40 g/mol
LogP2.43
Rot. Bonds5

About methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate

methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate (PubChem CID 74225728) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
PubChem CID74225728
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namemethyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C18H16N2O4S/c1-24-18(21)17(14-7-3-2-4-8-14)20-25(22,23)15-11-5-9-13-10-6-12-19-16(13)15/h2-12,17,20H,1H3/t17-/m1/s1
InChIKeyYGDVMIGMXYKCQZ-QGZVFWFLSA-N
XLogP2.43
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681
methyl (2S,3S)-2-(benzylamino)-3-phenyl-3-(quinolin-8-ylsulfonylamino)propanoate
CID 102027679
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
methyl (2S,3R)-2-(benzylamino)-3-(furan-2-yl)-3-(quinolin-8-ylsulfonylamino)propanoate
CID 102027683
methyl (2S,3S)-2-(benzylamino)-3-(2-methylphenyl)-3-(quinolin-8-ylsulfonylamino)propanoate
CID 134941573
methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
CID 102692927
methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
CID 71246852
(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide
CID 70062047
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950537
N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950529
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate (CID 74225728) is methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate is COC(=O)[C@H](NS(=O)(=O)c1cccc2cccnc12)c1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate?
The InChIKey is YGDVMIGMXYKCQZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-24-18(21)17(14-7-3-2-4-8-14)20-25(22,23)15-11-5-9-13-10-6-12-19-16(13)15/h2-12,17,20H,1H3/t17-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate?
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate has a molecular weight of 356.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate is sourced from PubChem (CID 74225728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).