2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide

C18H31N3O4S — CID 86989654

IUPAC2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide
SMILESCCCCc1noc(C(C)S(=O)(=O)CC(=O)N(CC)C2CCCCC2)n1
InChIInChI=1S/C18H31N3O4S/c1-4-6-12-16-19-18(25-20-16)14(3)26(23,24)13-17(22)21(5-2)15-10-8-7-9-11-15/h14-15H,4-13H2,1-3H3
InChIKeyRFFIIHZPJBLXSW-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.07
Rot. Bonds9

About 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide

2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide (PubChem CID 86989654) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide
PubChem CID86989654
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC Name2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide
SMILESCCCCc1noc(C(C)S(=O)(=O)CC(=O)N(CC)C2CCCCC2)n1
InChIInChI=1S/C18H31N3O4S/c1-4-6-12-16-19-18(25-20-16)14(3)26(23,24)13-17(22)21(5-2)15-10-8-7-9-11-15/h14-15H,4-13H2,1-3H3
InChIKeyRFFIIHZPJBLXSW-UHFFFAOYSA-N
XLogP3.07
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-pentan-2-yl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]acetamide
CID 45822823
2-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one
CID 45822942
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-N-cyclopentylpropanamide
CID 45822943
2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N,N-dimethylacetamide
CID 45822961
2-[1-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 45822962
2-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 53499452
2-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one
CID 53506292
1-[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone
CID 71872962
3-[1-(2-Ethylsulfonylethyl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 72132705
1-[3-(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 72147114
2-Ethylsulfonyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 72147116
3-[1-(2-Methylsulfonylethyl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72149361

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide (CID 86989654) is 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide is CCCCc1noc(C(C)S(=O)(=O)CC(=O)N(CC)C2CCCCC2)n1.
What is the InChIKey of 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide?
The InChIKey is RFFIIHZPJBLXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c1-4-6-12-16-19-18(25-20-16)14(3)26(23,24)13-17(22)21(5-2)15-10-8-7-9-11-15/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide?
2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide has a molecular weight of 385.53 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 86989654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).