4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide

C19H26N2O2S — CID 134155099

IUPAC4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC2=NC(C)(C)C3(CCC(C)CC3)S2)cc1
InChIInChI=1S/C19H26N2O2S/c1-13-9-11-19(12-10-13)18(2,3)21-17(24-19)20-16(22)14-5-7-15(23-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,20,21,22)
InChIKeyRIDUCOWEIYOXFL-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.26
Rot. Bonds2

About 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide

4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide (PubChem CID 134155099) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide
PubChem CID134155099
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC2=NC(C)(C)C3(CCC(C)CC3)S2)cc1
InChIInChI=1S/C19H26N2O2S/c1-13-9-11-19(12-10-13)18(2,3)21-17(24-19)20-16(22)14-5-7-15(23-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,20,21,22)
InChIKeyRIDUCOWEIYOXFL-UHFFFAOYSA-N
XLogP4.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide (CID 134155099) is 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide is COc1ccc(C(=O)NC2=NC(C)(C)C3(CCC(C)CC3)S2)cc1.
What is the InChIKey of 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide?
The InChIKey is RIDUCOWEIYOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13-9-11-19(12-10-13)18(2,3)21-17(24-19)20-16(22)14-5-7-15(23-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,20,21,22).
What are the key properties of 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide?
4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide has a molecular weight of 346.50 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-yl)benzamide is sourced from PubChem (CID 134155099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).