methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate

C26H28N2O8S2 — CID 24761718

IUPACmethyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C26H28N2O8S2/c1-27(23(25(29)35-3)19-12-7-5-8-13-19)37(31,32)21-16-11-17-22(18-21)38(33,34)28(2)24(26(30)36-4)20-14-9-6-10-15-20/h5-18,23-24H,1-4H3/t23-,24-/m1/s1
InChIKeyMJWJERQDSKMRBE-DNQXCXABSA-N
MW560.65 g/mol
LogP2.76
Rot. Bonds10

About methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate

methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate (PubChem CID 24761718) has the molecular formula C26H28N2O8S2 and a molecular weight of 560.65 g/mol. Its IUPAC name is methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate
PubChem CID24761718
Molecular FormulaC26H28N2O8S2
Molecular Weight560.65 g/mol
Exact Mass560.13
IUPAC Namemethyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C26H28N2O8S2/c1-27(23(25(29)35-3)19-12-7-5-8-13-19)37(31,32)21-16-11-17-22(18-21)38(33,34)28(2)24(26(30)36-4)20-14-9-6-10-15-20/h5-18,23-24H,1-4H3/t23-,24-/m1/s1
InChIKeyMJWJERQDSKMRBE-DNQXCXABSA-N
XLogP2.76
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.65
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[[3-[[(2-methoxy-2-oxo-1-phenylethyl)-methylsulfonylamino]methyl]phenyl]methyl-methylsulfonylamino]-2-phenylacetate
CID 24761776
tert-butyl (2R)-2-[methyl-[3-[methyl-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate
CID 24761788
Methyl 2-(4-methylphenylsulfonamido)-2-phenylacetate
CID 2765029
Methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate
CID 24761790
2-[[3-[[[Carboxy(phenyl)methyl]-methylsulfonylamino]methyl]phenyl]methyl-methylsulfonylamino]-2-phenylacetic acid
CID 24761773
methyl (2S)-2-[[3-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-3-phenylpropanoate
CID 24762011
Methyl 1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carboxylate
CID 11325007
ethyl 2-(benzenesulfonyl)-7-fluoro-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 10992103
ethyl 2-(benzenesulfonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 15185257
Ethyl 2-[bis(benzenesulfonyl)amino]-2-fluoro-2-phenylacetate
CID 132523275
Methyl 2-[bis(benzenesulfonyl)amino]-2-fluoro-2-phenylacetate
CID 132523276
Ethyl 2-[bis(benzenesulfonyl)amino]-2-fluoro-2-(4-fluorophenyl)acetate
CID 132523281

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate (CID 24761718) is methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C(=O)OC)c2ccccc2)c1.
What is the InChIKey of methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate?
The InChIKey is MJWJERQDSKMRBE-DNQXCXABSA-N. The full InChI is InChI=1S/C26H28N2O8S2/c1-27(23(25(29)35-3)19-12-7-5-8-13-19)37(31,32)21-16-11-17-22(18-21)38(33,34)28(2)24(26(30)36-4)20-14-9-6-10-15-20/h5-18,23-24H,1-4H3/t23-,24-/m1/s1.
What are the key properties of methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate?
methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate has a molecular weight of 560.65 g/mol, XLogP of 2.76, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate is sourced from PubChem (CID 24761718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).