3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C16H15N3O5S — CID 53133730

IUPAC3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1nc(CCS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C16H15N3O5S/c20-15(17-11-12-5-4-9-23-12)16-18-14(19-24-16)8-10-25(21,22)13-6-2-1-3-7-13/h1-7,9H,8,10-11H2,(H,17,20)
InChIKeyBFOOPSWMYKINHC-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.61
Rot. Bonds7

About 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53133730) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID53133730
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1nc(CCS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C16H15N3O5S/c20-15(17-11-12-5-4-9-23-12)16-18-14(19-24-16)8-10-25(21,22)13-6-2-1-3-7-13/h1-7,9H,8,10-11H2,(H,17,20)
InChIKeyBFOOPSWMYKINHC-UHFFFAOYSA-N
XLogP1.61
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 95092659
3-[2-(benzenesulfonyl)ethyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133731
N-benzyl-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133962
3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 22579342
3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133850
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492028
3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
3-[2-(4-methoxyphenyl)sulfonylethyl]-N-propyl-1,2,4-oxadiazole-5-carboxamide
CID 53133939
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
N-(furan-2-ylmethyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5298140
N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5307986
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 53133730) is 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccco1)c1nc(CCS(=O)(=O)c2ccccc2)no1.
What is the InChIKey of 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BFOOPSWMYKINHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c20-15(17-11-12-5-4-9-23-12)16-18-14(19-24-16)8-10-25(21,22)13-6-2-1-3-7-13/h1-7,9H,8,10-11H2,(H,17,20).
What are the key properties of 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53133730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).