1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide

C20H29NO5S — CID 3963551

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)N(Cc1ccco1)CC1CCCO1)C(=O)C2
InChIInChI=1S/C20H29NO5S/c1-19(2)15-7-8-20(19,18(22)11-15)14-27(23,24)21(12-16-5-3-9-25-16)13-17-6-4-10-26-17/h3,5,9,15,17H,4,6-8,10-14H2,1-2H3
InChIKeyOHDBEBKWOROENS-UHFFFAOYSA-N
MW395.52 g/mol
LogP2.99
Rot. Bonds7

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide (PubChem CID 3963551) has the molecular formula C20H29NO5S and a molecular weight of 395.52 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide
PubChem CID3963551
Molecular FormulaC20H29NO5S
Molecular Weight395.52 g/mol
Exact Mass395.18
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)N(Cc1ccco1)CC1CCCO1)C(=O)C2
InChIInChI=1S/C20H29NO5S/c1-19(2)15-7-8-20(19,18(22)11-15)14-27(23,24)21(12-16-5-3-9-25-16)13-17-6-4-10-26-17/h3,5,9,15,17H,4,6-8,10-14H2,1-2H3
InChIKeyOHDBEBKWOROENS-UHFFFAOYSA-N
XLogP2.99
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide (CID 3963551) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide is CC1(C)C2CCC1(CS(=O)(=O)N(Cc1ccco1)CC1CCCO1)C(=O)C2.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide?
The InChIKey is OHDBEBKWOROENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5S/c1-19(2)15-7-8-20(19,18(22)11-15)14-27(23,24)21(12-16-5-3-9-25-16)13-17-6-4-10-26-17/h3,5,9,15,17H,4,6-8,10-14H2,1-2H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide has a molecular weight of 395.52 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 3963551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).