4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide

C13H13N3O4S2 — CID 46380290

IUPAC4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1nc(-c2csc(S(=O)(=O)NCc3ccco3)c2)no1
InChIInChI=1S/C13H13N3O4S2/c1-2-11-15-13(16-20-11)9-6-12(21-8-9)22(17,18)14-7-10-4-3-5-19-10/h3-6,8,14H,2,7H2,1H3
InChIKeyBSNYJBUJZLWQSQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.43
Rot. Bonds6

About 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide

4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 46380290) has the molecular formula C13H13N3O4S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID46380290
Molecular FormulaC13H13N3O4S2
Molecular Weight339.40 g/mol
Exact Mass339.03
IUPAC Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1nc(-c2csc(S(=O)(=O)NCc3ccco3)c2)no1
InChIInChI=1S/C13H13N3O4S2/c1-2-11-15-13(16-20-11)9-6-12(21-8-9)22(17,18)14-7-10-4-3-5-19-10/h3-6,8,14H,2,7H2,1H3
InChIKeyBSNYJBUJZLWQSQ-UHFFFAOYSA-N
XLogP2.43
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 51043991
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380285
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53126848
N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 53133547
N-(3-ethylphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380254
N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126844
N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 91811051
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 43025997
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 53126834
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53126909
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53127316

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (CID 46380290) is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is CCc1nc(-c2csc(S(=O)(=O)NCc3ccco3)c2)no1.
What is the InChIKey of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is BSNYJBUJZLWQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S2/c1-2-11-15-13(16-20-11)9-6-12(21-8-9)22(17,18)14-7-10-4-3-5-19-10/h3-6,8,14H,2,7H2,1H3.
What are the key properties of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 339.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 46380290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).