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

C20H31N3O5S — CID 3296926

IUPAC2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CC(C)C)S(=O)(=O)CC23CCC(CC2=O)C3(C)C)no1
InChIInChI=1S/C20H31N3O5S/c1-13(2)10-23(11-18(25)21-17-8-14(3)28-22-17)29(26,27)12-20-7-6-15(9-16(20)24)19(20,4)5/h8,13,15H,6-7,9-12H2,1-5H3,(H,21,22,25)
InChIKeyNBUIYKWHZSBKAZ-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.60
Rot. Bonds8

About 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

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 (PubChem CID 3296926) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3296926
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Name2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CC(C)C)S(=O)(=O)CC23CCC(CC2=O)C3(C)C)no1
InChIInChI=1S/C20H31N3O5S/c1-13(2)10-23(11-18(25)21-17-8-14(3)28-22-17)29(26,27)12-20-7-6-15(9-16(20)24)19(20,4)5/h8,13,15H,6-7,9-12H2,1-5H3,(H,21,22,25)
InChIKeyNBUIYKWHZSBKAZ-UHFFFAOYSA-N
XLogP2.60
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(NC(=O)CN(CC(C)C)S(=O)(=O)CC23CCC(CC2=O)C3(C)C)no1.
What is the InChIKey of 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?
The InChIKey is NBUIYKWHZSBKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-13(2)10-23(11-18(25)21-17-8-14(3)28-22-17)29(26,27)12-20-7-6-15(9-16(20)24)19(20,4)5/h8,13,15H,6-7,9-12H2,1-5H3,(H,21,22,25).
What are the key properties of 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?
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 has a molecular weight of 425.55 g/mol, XLogP of 2.60, 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-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3296926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).