N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide

C18H26N4O3S — CID 120853109

IUPACN-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2nc(C3(N)CCCC3)no2)C(C)C)cc1
InChIInChI=1S/C18H26N4O3S/c1-12(2)15(22-26(23,24)14-8-6-13(3)7-9-14)16-20-17(21-25-16)18(19)10-4-5-11-18/h6-9,12,15,22H,4-5,10-11,19H2,1-3H3
InChIKeyXWYIBAQANQSFIL-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.78
Rot. Bonds6

About N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide

N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide (PubChem CID 120853109) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide
PubChem CID120853109
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2nc(C3(N)CCCC3)no2)C(C)C)cc1
InChIInChI=1S/C18H26N4O3S/c1-12(2)15(22-26(23,24)14-8-6-13(3)7-9-14)16-20-17(21-25-16)18(19)10-4-5-11-18/h6-9,12,15,22H,4-5,10-11,19H2,1-3H3
InChIKeyXWYIBAQANQSFIL-UHFFFAOYSA-N
XLogP2.78
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120855248
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 120863292
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide
CID 120850394
4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120864357
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide
CID 120856740
1-[5-[1-(4-methylphenyl)sulfonylcyclopentyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862219
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 120861770
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide;hydrochloride
CID 120854920
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxybenzamide;hydrochloride
CID 120863327
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
CID 120859450
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide
CID 120851063

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide (CID 120853109) is N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2nc(C3(N)CCCC3)no2)C(C)C)cc1.
What is the InChIKey of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is XWYIBAQANQSFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-12(2)15(22-26(23,24)14-8-6-13(3)7-9-14)16-20-17(21-25-16)18(19)10-4-5-11-18/h6-9,12,15,22H,4-5,10-11,19H2,1-3H3.
What are the key properties of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide?
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 120853109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).