3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide

C15H24N2O4S — CID 75461233

IUPAC3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H24N2O4S/c1-11-14(12(2)21-16-11)10-17(3)15(18)8-9-22(19,20)13-6-4-5-7-13/h13H,4-10H2,1-3H3
InChIKeyPXSXTHVOYQBXCI-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.00
Rot. Bonds6

About 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide

3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 75461233) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide
PubChem CID75461233
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H24N2O4S/c1-11-14(12(2)21-16-11)10-17(3)15(18)8-9-22(19,20)13-6-4-5-7-13/h13H,4-10H2,1-3H3
InChIKeyPXSXTHVOYQBXCI-UHFFFAOYSA-N
XLogP2.00
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide (CID 75461233) is 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide is Cc1noc(C)c1CN(C)C(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is PXSXTHVOYQBXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-11-14(12(2)21-16-11)10-17(3)15(18)8-9-22(19,20)13-6-4-5-7-13/h13H,4-10H2,1-3H3.
What are the key properties of 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide?
3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 328.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 75461233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).