3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide

C14H13N3O4S2 — CID 90607785

IUPAC3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccsc2-c2nc(C)no2)c1
InChIInChI=1S/C14H13N3O4S2/c1-9-15-14(21-16-9)13-12(6-7-22-13)17-23(18,19)11-5-3-4-10(8-11)20-2/h3-8,17H,1-2H3
InChIKeyVGLDIHMAFQWONS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.92
Rot. Bonds5

About 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide

3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide (PubChem CID 90607785) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
PubChem CID90607785
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccsc2-c2nc(C)no2)c1
InChIInChI=1S/C14H13N3O4S2/c1-9-15-14(21-16-9)13-12(6-7-22-13)17-23(18,19)11-5-3-4-10(8-11)20-2/h3-8,17H,1-2H3
InChIKeyVGLDIHMAFQWONS-UHFFFAOYSA-N
XLogP2.92
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90607773
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90607798
N-[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]phenyl]acetamide
CID 90607762
3-methoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563945
3-methoxy-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163713
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50839280
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608190
N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide
CID 47480088
2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyridine-3-carboxamide
CID 90607576
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide (CID 90607785) is 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccsc2-c2nc(C)no2)c1.
What is the InChIKey of 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is VGLDIHMAFQWONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-9-15-14(21-16-9)13-12(6-7-22-13)17-23(18,19)11-5-3-4-10(8-11)20-2/h3-8,17H,1-2H3.
What are the key properties of 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 351.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 90607785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).