methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate

C23H24N2O6S — CID 55439968

IUPACmethyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H24N2O6S/c1-16-5-7-17(8-6-16)21(14-22(26)30-2)25-23(27)18-9-11-20(12-10-18)32(28,29)24-15-19-4-3-13-31-19/h3-13,21,24H,14-15H2,1-2H3,(H,25,27)
InChIKeyKHISOUAQRABGJK-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.10
Rot. Bonds9

About methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate

methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate (PubChem CID 55439968) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate
PubChem CID55439968
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Namemethyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H24N2O6S/c1-16-5-7-17(8-6-16)21(14-22(26)30-2)25-23(27)18-9-11-20(12-10-18)32(28,29)24-15-19-4-3-13-31-19/h3-13,21,24H,14-15H2,1-2H3,(H,25,27)
InChIKeyKHISOUAQRABGJK-UHFFFAOYSA-N
XLogP3.10
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate with MolForge

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31443585
4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 41277628
4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55347369
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41189111
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
methyl 3-(4-chlorophenyl)-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55439645
methyl 3-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate
CID 55440320
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate (CID 55439968) is methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate is COC(=O)CC(NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(C)cc1.
What is the InChIKey of methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate?
The InChIKey is KHISOUAQRABGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-16-5-7-17(8-6-16)21(14-22(26)30-2)25-23(27)18-9-11-20(12-10-18)32(28,29)24-15-19-4-3-13-31-19/h3-13,21,24H,14-15H2,1-2H3,(H,25,27).
What are the key properties of methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate?
methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate has a molecular weight of 456.52 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55439968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).