2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H27N3O5S — CID 4569931

IUPAC2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C2CC2)S(=O)(=O)CC23CCC(CC2=O)C3(C)C)no1
InChIInChI=1S/C19H27N3O5S/c1-12-8-16(21-27-12)20-17(24)10-22(14-4-5-14)28(25,26)11-19-7-6-13(9-15(19)23)18(19,2)3/h8,13-14H,4-7,9-11H2,1-3H3,(H,20,21,24)
InChIKeyFOAYLXXPRJDEOF-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.11
Rot. Bonds7

About 2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4569931) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4569931
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C2CC2)S(=O)(=O)CC23CCC(CC2=O)C3(C)C)no1
InChIInChI=1S/C19H27N3O5S/c1-12-8-16(21-27-12)20-17(24)10-22(14-4-5-14)28(25,26)11-19-7-6-13(9-15(19)23)18(19,2)3/h8,13-14H,4-7,9-11H2,1-3H3,(H,20,21,24)
InChIKeyFOAYLXXPRJDEOF-UHFFFAOYSA-N
XLogP2.11
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 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) is 2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C2CC2)S(=O)(=O)CC23CCC(CC2=O)C3(C)C)no1.
What is the InChIKey of 2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is FOAYLXXPRJDEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-12-8-16(21-27-12)20-17(24)10-22(14-4-5-14)28(25,26)11-19-7-6-13(9-15(19)23)18(19,2)3/h8,13-14H,4-7,9-11H2,1-3H3,(H,20,21,24).
What are the key properties of 2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4569931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).