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

C17H17N3O3S2 — CID 53127345

IUPAC4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)c1C
InChIInChI=1S/C17H17N3O3S2/c1-10-4-3-5-14(11(10)2)20-25(21,22)15-8-13(9-24-15)17-19-18-16(23-17)12-6-7-12/h3-5,8-9,12,20H,6-7H2,1-2H3
InChIKeyKJXOAVDHSNEKGR-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.09
Rot. Bonds5

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

4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide (PubChem CID 53127345) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
PubChem CID53127345
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)c1C
InChIInChI=1S/C17H17N3O3S2/c1-10-4-3-5-14(11(10)2)20-25(21,22)15-8-13(9-24-15)17-19-18-16(23-17)12-6-7-12/h3-5,8-9,12,20H,6-7H2,1-2H3
InChIKeyKJXOAVDHSNEKGR-UHFFFAOYSA-N
XLogP4.09
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide (CID 53127345) is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)c1C.
What is the InChIKey of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is KJXOAVDHSNEKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-10-4-3-5-14(11(10)2)20-25(21,22)15-8-13(9-24-15)17-19-18-16(23-17)12-6-7-12/h3-5,8-9,12,20H,6-7H2,1-2H3.
What are the key properties of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide?
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53127345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).