methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate

C25H26N2O5S — CID 2211920

IUPACmethyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O5S/c1-18(20-8-4-3-5-9-20)27-33(30,31)21-15-12-19(13-16-21)14-17-24(28)26-23-11-7-6-10-22(23)25(29)32-2/h3-13,15-16,18,27H,14,17H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyAHPKNDZWPUTLLW-GOSISDBHSA-N
MW466.56 g/mol
LogP4.08
Rot. Bonds9

About methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate

methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate (PubChem CID 2211920) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate
PubChem CID2211920
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Namemethyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O5S/c1-18(20-8-4-3-5-9-20)27-33(30,31)21-15-12-19(13-16-21)14-17-24(28)26-23-11-7-6-10-22(23)25(29)32-2/h3-13,15-16,18,27H,14,17H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyAHPKNDZWPUTLLW-GOSISDBHSA-N
XLogP4.08
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate with MolForge

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Related Compounds

methyl 2-[3-[4-(1-phenylethylsulfamoyl)phenyl]propanoylamino]benzoate
CID 2957805
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126150965
N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126234412
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242074
N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239103
methyl 5-[3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]-1-benzothiophene-2-carboxylate
CID 28556868
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate (CID 2211920) is methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate?
The InChIKey is AHPKNDZWPUTLLW-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-18(20-8-4-3-5-9-20)27-33(30,31)21-15-12-19(13-16-21)14-17-24(28)26-23-11-7-6-10-22(23)25(29)32-2/h3-13,15-16,18,27H,14,17H2,1-2H3,(H,26,28)/t18-/m1/s1.
What are the key properties of methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate?
methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate has a molecular weight of 466.56 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate is sourced from PubChem (CID 2211920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).