propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate

C19H24N2O6S — CID 46429434

IUPACpropan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(CC(=O)OC(C)C)c2ccc(C)cc2)o1
InChIInChI=1S/C19H24N2O6S/c1-12(2)26-17(22)11-15(14-7-5-13(3)6-8-14)21-19(23)16-9-10-18(27-16)28(24,25)20-4/h5-10,12,15,20H,11H2,1-4H3,(H,21,23)
InChIKeyWHFMEZLDQAHAEJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.31
Rot. Bonds8

About propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate

propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate (PubChem CID 46429434) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
PubChem CID46429434
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Namepropan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(CC(=O)OC(C)C)c2ccc(C)cc2)o1
InChIInChI=1S/C19H24N2O6S/c1-12(2)26-17(22)11-15(14-7-5-13(3)6-8-14)21-19(23)16-9-10-18(27-16)28(24,25)20-4/h5-10,12,15,20H,11H2,1-4H3,(H,21,23)
InChIKeyWHFMEZLDQAHAEJ-UHFFFAOYSA-N
XLogP2.31
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
CID 46438353
propan-2-yl 3-(4-methylphenyl)-3-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]propanoate
CID 46637785
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate
CID 26069709
propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 46483453
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
propan-2-yl (3R)-3-(4-methylphenyl)butanoate
CID 101090137
2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]butanoic acid
CID 119223928
propan-2-yl 3-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 46657344
propan-2-yl 3-(4-methylphenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 46411380
propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55678292
propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 26974136

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate (CID 46429434) is propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate is CNS(=O)(=O)c1ccc(C(=O)NC(CC(=O)OC(C)C)c2ccc(C)cc2)o1.
What is the InChIKey of propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate?
The InChIKey is WHFMEZLDQAHAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-12(2)26-17(22)11-15(14-7-5-13(3)6-8-14)21-19(23)16-9-10-18(27-16)28(24,25)20-4/h5-10,12,15,20H,11H2,1-4H3,(H,21,23).
What are the key properties of propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate?
propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate has a molecular weight of 408.48 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate is sourced from PubChem (CID 46429434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).