N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide

C19H27N3O3S — CID 46365758

IUPACN-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)NC3CCCCCCC3)c2)no1
InChIInChI=1S/C19H27N3O3S/c1-3-18-20-19(21-25-18)15-12-11-14(2)17(13-15)26(23,24)22-16-9-7-5-4-6-8-10-16/h11-13,16,22H,3-10H2,1-2H3
InChIKeyAKURLIVTTROFGJ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.00
Rot. Bonds5

About N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide

N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide (PubChem CID 46365758) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
PubChem CID46365758
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)NC3CCCCCCC3)c2)no1
InChIInChI=1S/C19H27N3O3S/c1-3-18-20-19(21-25-18)15-12-11-14(2)17(13-15)26(23,24)22-16-9-7-5-4-6-8-10-16/h11-13,16,22H,3-10H2,1-2H3
InChIKeyAKURLIVTTROFGJ-UHFFFAOYSA-N
XLogP4.00
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-cyclohexyl-2-methylbenzenesulfonamide
CID 53205144
N-cyclohexyl-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205074
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
CID 53042694
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46365752
N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365775
(2R)-N-cycloheptyl-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 92880619
N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120866549
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46365804
N-cycloheptyl-5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylbenzenesulfonamide
CID 121465472
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 46365773
8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 46365792

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide (CID 46365758) is N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide is CCc1nc(-c2ccc(C)c(S(=O)(=O)NC3CCCCCCC3)c2)no1.
What is the InChIKey of N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is AKURLIVTTROFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-3-18-20-19(21-25-18)15-12-11-14(2)17(13-15)26(23,24)22-16-9-7-5-4-6-8-10-16/h11-13,16,22H,3-10H2,1-2H3.
What are the key properties of N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide?
N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 46365758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).