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

C23H35N3O5S — CID 3307547

IUPAC2-[cyclohexylmethyl-[(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(CC2CCCCC2)S(=O)(=O)CC23CCC(CC2=O)C3(C)C)no1
InChIInChI=1S/C23H35N3O5S/c1-16-11-20(25-31-16)24-21(28)14-26(13-17-7-5-4-6-8-17)32(29,30)15-23-10-9-18(12-19(23)27)22(23,2)3/h11,17-18H,4-10,12-15H2,1-3H3,(H,24,25,28)
InChIKeyYWTREBHAJSLOPF-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.53
Rot. Bonds8

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

2-[cyclohexylmethyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3307547) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-[cyclohexylmethyl-[(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-[cyclohexylmethyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3307547
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC Name2-[cyclohexylmethyl-[(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(CC2CCCCC2)S(=O)(=O)CC23CCC(CC2=O)C3(C)C)no1
InChIInChI=1S/C23H35N3O5S/c1-16-11-20(25-31-16)24-21(28)14-26(13-17-7-5-4-6-8-17)32(29,30)15-23-10-9-18(12-19(23)27)22(23,2)3/h11,17-18H,4-10,12-15H2,1-3H3,(H,24,25,28)
InChIKeyYWTREBHAJSLOPF-UHFFFAOYSA-N
XLogP3.53
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl-[(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-[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) is 2-[cyclohexylmethyl-[(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-[cyclohexylmethyl-[(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-[cyclohexylmethyl-[(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(CC2CCCCC2)S(=O)(=O)CC23CCC(CC2=O)C3(C)C)no1.
What is the InChIKey of 2-[cyclohexylmethyl-[(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 YWTREBHAJSLOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-16-11-20(25-31-16)24-21(28)14-26(13-17-7-5-4-6-8-17)32(29,30)15-23-10-9-18(12-19(23)27)22(23,2)3/h11,17-18H,4-10,12-15H2,1-3H3,(H,24,25,28).
What are the key properties of 2-[cyclohexylmethyl-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[cyclohexylmethyl-[(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 465.62 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl-[(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 3307547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).