1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide

C18H25NO3S — CID 5268682

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide
SMILESCCc1ccc(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)cc1
InChIInChI=1S/C18H25NO3S/c1-4-13-5-7-15(8-6-13)19-23(21,22)12-18-10-9-14(11-16(18)20)17(18,2)3/h5-8,14,19H,4,9-12H2,1-3H3
InChIKeyWMTRLBWGBLZCSP-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.39
Rot. Bonds5

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide (PubChem CID 5268682) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide
PubChem CID5268682
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide
SMILESCCc1ccc(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)cc1
InChIInChI=1S/C18H25NO3S/c1-4-13-5-7-15(8-6-13)19-23(21,22)12-18-10-9-14(11-16(18)20)17(18,2)3/h5-8,14,19H,4,9-12H2,1-3H3
InChIKeyWMTRLBWGBLZCSP-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide (CID 5268682) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide is CCc1ccc(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)cc1.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide?
The InChIKey is WMTRLBWGBLZCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-4-13-5-7-15(8-6-13)19-23(21,22)12-18-10-9-14(11-16(18)20)17(18,2)3/h5-8,14,19H,4,9-12H2,1-3H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide is sourced from PubChem (CID 5268682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).