5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide

C18H26N4O4S — CID 120853225

IUPAC5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H26N4O4S/c1-17(2,3)22-27(23,24)14-11-12(7-8-13(14)25-4)15-20-16(21-26-15)18(19)9-5-6-10-18/h7-8,11,22H,5-6,9-10,19H2,1-4H3
InChIKeyGVUJHCIGZGQXAE-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.55
Rot. Bonds5

About 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide

5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide (PubChem CID 120853225) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide
PubChem CID120853225
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H26N4O4S/c1-17(2,3)22-27(23,24)14-11-12(7-8-13(14)25-4)15-20-16(21-26-15)18(19)9-5-6-10-18/h7-8,11,22H,5-6,9-10,19H2,1-4H3
InChIKeyGVUJHCIGZGQXAE-UHFFFAOYSA-N
XLogP2.55
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide (CID 120853225) is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide is COc1ccc(-c2nc(C3(N)CCCC3)no2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide?
The InChIKey is GVUJHCIGZGQXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-17(2,3)22-27(23,24)14-11-12(7-8-13(14)25-4)15-20-16(21-26-15)18(19)9-5-6-10-18/h7-8,11,22H,5-6,9-10,19H2,1-4H3.
What are the key properties of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide?
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 120853225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).