[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate

C23H24N2O6S — CID 55730624

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)o1
InChIInChI=1S/C23H24N2O6S/c1-25(2)32(28,29)21-14-13-19(31-21)16-30-23(27)20(15-17-9-5-3-6-10-17)24-22(26)18-11-7-4-8-12-18/h3-14,20H,15-16H2,1-2H3,(H,24,26)
InChIKeyATLJRUVWLKCJLS-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.61
Rot. Bonds9

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate (PubChem CID 55730624) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate
PubChem CID55730624
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)o1
InChIInChI=1S/C23H24N2O6S/c1-25(2)32(28,29)21-14-13-19(31-21)16-30-23(27)20(15-17-9-5-3-6-10-17)24-22(26)18-11-7-4-8-12-18/h3-14,20H,15-16H2,1-2H3,(H,24,26)
InChIKeyATLJRUVWLKCJLS-UHFFFAOYSA-N
XLogP2.61
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 4148550
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate
CID 31048252
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-benzamido-3-phenylpropanoate
CID 55458665
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42968173
methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
hexyl 2-benzamido-3-phenylpropanoate
CID 569464
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate (CID 55730624) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate is CN(C)S(=O)(=O)c1ccc(COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate?
The InChIKey is ATLJRUVWLKCJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-25(2)32(28,29)21-14-13-19(31-21)16-30-23(27)20(15-17-9-5-3-6-10-17)24-22(26)18-11-7-4-8-12-18/h3-14,20H,15-16H2,1-2H3,(H,24,26).
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate has a molecular weight of 456.52 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 55730624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).