5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide

C16H15N3O4S2 — CID 53068113

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1
InChIInChI=1S/C16H15N3O4S2/c1-22-12-4-2-3-11(9-12)19-25(20,21)14-8-7-13(24-14)16-18-17-15(23-16)10-5-6-10/h2-4,7-10,19H,5-6H2,1H3
InChIKeyJREVFJDVGLNIGE-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.48
Rot. Bonds6

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 53068113) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID53068113
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1
InChIInChI=1S/C16H15N3O4S2/c1-22-12-4-2-3-11(9-12)19-25(20,21)14-8-7-13(24-14)16-18-17-15(23-16)10-5-6-10/h2-4,7-10,19H,5-6H2,1H3
InChIKeyJREVFJDVGLNIGE-UHFFFAOYSA-N
XLogP3.48
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide (CID 53068113) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide is COc1cccc(NS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is JREVFJDVGLNIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-22-12-4-2-3-11(9-12)19-25(20,21)14-8-7-13(24-14)16-18-17-15(23-16)10-5-6-10/h2-4,7-10,19H,5-6H2,1H3.
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 377.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53068113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).