[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate

C19H21N3O6S — CID 55730775

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
SMILESCc1ccc(-c2nnc(CCC(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)o2)cc1
InChIInChI=1S/C19H21N3O6S/c1-13-4-6-14(7-5-13)19-21-20-16(28-19)9-10-17(23)26-12-15-8-11-18(27-15)29(24,25)22(2)3/h4-8,11H,9-10,12H2,1-3H3
InChIKeyBCLFDBTWPBUTCJ-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.56
Rot. Bonds8

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate (PubChem CID 55730775) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
PubChem CID55730775
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
SMILESCc1ccc(-c2nnc(CCC(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)o2)cc1
InChIInChI=1S/C19H21N3O6S/c1-13-4-6-14(7-5-13)19-21-20-16(28-19)9-10-17(23)26-12-15-8-11-18(27-15)29(24,25)22(2)3/h4-8,11H,9-10,12H2,1-3H3
InChIKeyBCLFDBTWPBUTCJ-UHFFFAOYSA-N
XLogP2.56
TPSA115.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 46660052
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate
CID 55998995
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813
2-(2,4-dichlorophenoxy)ethyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 46685633
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55427827
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 55733821
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 55730905
(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55479477
[2-(2-nitroanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55427868
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 55730465
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3,5-difluorobenzoate
CID 55730540
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55481732

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate (CID 55730775) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate is Cc1ccc(-c2nnc(CCC(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)o2)cc1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
The InChIKey is BCLFDBTWPBUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-13-4-6-14(7-5-13)19-21-20-16(28-19)9-10-17(23)26-12-15-8-11-18(27-15)29(24,25)22(2)3/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate has a molecular weight of 419.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate is sourced from PubChem (CID 55730775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).