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

C18H19N3O6S — CID 7976985

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NCCC(=O)OCc2nnc(-c3ccco3)o2)c(C)c1
InChIInChI=1S/C18H19N3O6S/c1-12-5-6-15(13(2)10-12)28(23,24)19-8-7-17(22)26-11-16-20-21-18(27-16)14-4-3-9-25-14/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeyCGPQQFJRYPCWRW-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.36
Rot. Bonds8

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate (PubChem CID 7976985) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
PubChem CID7976985
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NCCC(=O)OCc2nnc(-c3ccco3)o2)c(C)c1
InChIInChI=1S/C18H19N3O6S/c1-12-5-6-15(13(2)10-12)28(23,24)19-8-7-17(22)26-11-16-20-21-18(27-16)14-4-3-9-25-14/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeyCGPQQFJRYPCWRW-UHFFFAOYSA-N
XLogP2.36
TPSA124.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981488
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate
CID 9139477
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
1,3-benzothiazol-2-ylmethyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7976980
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)propanoate
CID 8552674
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
CID 7980221
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9362957
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523315
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 9272371
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7977297
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615694
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate (CID 7976985) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)NCCC(=O)OCc2nnc(-c3ccco3)o2)c(C)c1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate?
The InChIKey is CGPQQFJRYPCWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-12-5-6-15(13(2)10-12)28(23,24)19-8-7-17(22)26-11-16-20-21-18(27-16)14-4-3-9-25-14/h3-6,9-10,19H,7-8,11H2,1-2H3.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate has a molecular weight of 405.43 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7976985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).