4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide

C₁₆H₂₇NO₂S — CID 111970464

About 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide

4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide (PubChem CID 111970464) has the molecular formula C₁₆H₂₇NO₂S and a molecular weight of 297.46 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide.

Molecular Properties

• Compound Name: 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
• PubChem CID: 111970464
• Molecular Formula: C₁₆H₂₇NO₂S
• Molecular Weight: 297.46 g/mol
• Exact Mass: 297.18
• IUPAC Name: 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
• SMILES: Cc1cc(CCCC(=O)NCCC(O)C(C)C)c(C)s1
• InChI: InChI=1S/C16H27NO2S/c1-11(2)15(18)8-9-17-16(19)7-5-6-14-10-12(3)20-13(14)4/h10-11,15,18H,5-9H2,1-4H3,(H,17,19)
• InChIKey: KEJQFNFDNXUKSE-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.46
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide?

The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide (CID 111970464) is 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide.

What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide?

The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide is Cc1cc(CCCC(=O)NCCC(O)C(C)C)c(C)s1.

What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide?

The InChIKey is KEJQFNFDNXUKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-11(2)15(18)8-9-17-16(19)7-5-6-14-10-12(3)20-13(14)4/h10-11,15,18H,5-9H2,1-4H3,(H,17,19).

What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide?

4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide has a molecular weight of 297.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide is sourced from PubChem (CID 111970464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111970464 — identifiers, structure, computed properties (public domain)

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