N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide

C18H30N2O4S — CID 24762212

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCCCC2)no1
InChIInChI=1S/C18H30N2O4S/c1-17(2,3)14-12-15(20-24-14)19-16(21)18(4,5)25(22,23)13-10-8-6-7-9-11-13/h12-13H,6-11H2,1-5H3,(H,19,20,21)
InChIKeyYUOPKQYRGSHTIB-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.83
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide (PubChem CID 24762212) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide
PubChem CID24762212
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCCCC2)no1
InChIInChI=1S/C18H30N2O4S/c1-17(2,3)14-12-15(20-24-14)19-16(21)18(4,5)25(22,23)13-10-8-6-7-9-11-13/h12-13H,6-11H2,1-5H3,(H,19,20,21)
InChIKeyYUOPKQYRGSHTIB-UHFFFAOYSA-N
XLogP3.83
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide (CID 24762212) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCCCCC2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide?
The InChIKey is YUOPKQYRGSHTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-17(2,3)14-12-15(20-24-14)19-16(21)18(4,5)25(22,23)13-10-8-6-7-9-11-13/h12-13H,6-11H2,1-5H3,(H,19,20,21).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide has a molecular weight of 370.52 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-cycloheptylsulfonyl-2-methylpropanamide is sourced from PubChem (CID 24762212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).