methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate

C24H24N2O6S — CID 126150965

IUPACmethyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O6S/c1-17(18-8-4-3-5-9-18)26-33(29,30)20-14-12-19(13-15-20)32-16-23(27)25-22-11-7-6-10-21(22)24(28)31-2/h3-15,17,26H,16H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyZTDYYSIHAYDYQE-QGZVFWFLSA-N
MW468.53 g/mol
LogP3.53
Rot. Bonds9

About methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate

methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate (PubChem CID 126150965) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
PubChem CID126150965
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Namemethyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O6S/c1-17(18-8-4-3-5-9-18)26-33(29,30)20-14-12-19(13-15-20)32-16-23(27)25-22-11-7-6-10-21(22)24(28)31-2/h3-15,17,26H,16H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyZTDYYSIHAYDYQE-QGZVFWFLSA-N
XLogP3.53
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2942339
N-(2-ethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1319406
methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998
N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate
CID 2211920
methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126152181
methyl 2-[3-[4-(1-phenylethylsulfamoyl)phenyl]propanoylamino]benzoate
CID 2957805
N-(2,3-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126140739
N-(2,3-dichlorophenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152019
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
N-(2,6-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126133986
N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126149238

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate (CID 126150965) is methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate?
The InChIKey is ZTDYYSIHAYDYQE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-17(18-8-4-3-5-9-18)26-33(29,30)20-14-12-19(13-15-20)32-16-23(27)25-22-11-7-6-10-21(22)24(28)31-2/h3-15,17,26H,16H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate?
methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate has a molecular weight of 468.53 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 126150965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).