2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

C₂₀H₂₃NO₂S — CID 132652294

About 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 132652294) has the molecular formula C₂₀H₂₃NO₂S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

• Compound Name: 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
• PubChem CID: 132652294
• Molecular Formula: C₂₀H₂₃NO₂S
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.14
• IUPAC Name: 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
• SMILES: CSc1ccccc1C(=O)NC1CC(C)(C)Oc2cc(C)ccc21
• InChI: InChI=1S/C20H23NO2S/c1-13-9-10-14-16(12-20(2,3)23-17(14)11-13)21-19(22)15-7-5-6-8-18(15)24-4/h5-11,16H,12H2,1-4H3,(H,21,22)
• InChIKey: NPXVBQUZCBPRSK-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?

The IUPAC name of 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 132652294) is 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.

What is the SMILES notation for 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?

The canonical SMILES for 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is CSc1ccccc1C(=O)NC1CC(C)(C)Oc2cc(C)ccc21.

What is the InChIKey of 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?

The InChIKey is NPXVBQUZCBPRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-13-9-10-14-16(12-20(2,3)23-17(14)11-13)21-19(22)15-7-5-6-8-18(15)24-4/h5-11,16H,12H2,1-4H3,(H,21,22).

What are the key properties of 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?

2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 341.48 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 132652294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 132652294 — identifiers, structure, computed properties (public domain)

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