2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide

C18H27N3O5S — CID 42770966

IUPAC2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccon1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C18H27N3O5S/c1-4-8-21(11-16(23)19-15-6-9-26-20-15)27(24,25)12-18-7-5-13(10-14(18)22)17(18,2)3/h6,9,13H,4-5,7-8,10-12H2,1-3H3,(H,19,20,23)
InChIKeySACOMSPPFYWHAR-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.05
Rot. Bonds8

About 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide

2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 42770966) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID42770966
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccon1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C18H27N3O5S/c1-4-8-21(11-16(23)19-15-6-9-26-20-15)27(24,25)12-18-7-5-13(10-14(18)22)17(18,2)3/h6,9,13H,4-5,7-8,10-12H2,1-3H3,(H,19,20,23)
InChIKeySACOMSPPFYWHAR-UHFFFAOYSA-N
XLogP2.05
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3296926
2-[cyclohexylmethyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3307547
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3586109
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4120200
2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4569931
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4607090
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-pentylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4610126
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4623706
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4656419
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 5157041
2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7296329
2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyl-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 7297022

Frequently Asked Questions

What is the IUPAC name of 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide (CID 42770966) is 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide is CCCN(CC(=O)Nc1ccon1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C.
What is the InChIKey of 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is SACOMSPPFYWHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-4-8-21(11-16(23)19-15-6-9-26-20-15)27(24,25)12-18-7-5-13(10-14(18)22)17(18,2)3/h6,9,13H,4-5,7-8,10-12H2,1-3H3,(H,19,20,23).
What are the key properties of 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42770966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).