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

C24H24N2O6S — CID 126152181

IUPACmethyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O6S/c1-17(18-6-4-3-5-7-18)26-33(29,30)22-14-12-21(13-15-22)32-16-23(27)25-20-10-8-19(9-11-20)24(28)31-2/h3-15,17,26H,16H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyQMQRQOUZZMTSBM-KRWDZBQOSA-N
MW468.53 g/mol
LogP3.53
Rot. Bonds9

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

methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate (PubChem CID 126152181) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
PubChem CID126152181
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Namemethyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O6S/c1-17(18-6-4-3-5-7-18)26-33(29,30)22-14-12-21(13-15-22)32-16-23(27)25-20-10-8-19(9-11-20)24(28)31-2/h3-15,17,26H,16H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyQMQRQOUZZMTSBM-KRWDZBQOSA-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 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126150148
methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126150965
N-(3-acetylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1314176
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126198183
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-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 94861614
N-tert-butyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152898
N-(2,6-diethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254461
N-(2,6-diethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254462
N-(2-ethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1319406

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate (CID 126152181) is methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate?
The InChIKey is QMQRQOUZZMTSBM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-17(18-6-4-3-5-7-18)26-33(29,30)22-14-12-21(13-15-22)32-16-23(27)25-20-10-8-19(9-11-20)24(28)31-2/h3-15,17,26H,16H2,1-2H3,(H,25,27)/t17-/m0/s1.
What are the key properties of methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate?
methyl 4-[[2-[4-[[(1S)-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 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 126152181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).