4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide

C15H25NO2S — CID 103899429

IUPAC4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(C)CCCO)sc1C
InChIInChI=1S/C15H25NO2S/c1-5-12-9-13(19-11(12)2)14(18)16-10-15(3,4)7-6-8-17/h9,17H,5-8,10H2,1-4H3,(H,16,18)
InChIKeyYUGFKJNKTNFKFR-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.15
Rot. Bonds7

About 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide

4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide (PubChem CID 103899429) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide
PubChem CID103899429
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(C)CCCO)sc1C
InChIInChI=1S/C15H25NO2S/c1-5-12-9-13(19-11(12)2)14(18)16-10-15(3,4)7-6-8-17/h9,17H,5-8,10H2,1-4H3,(H,16,18)
InChIKeyYUGFKJNKTNFKFR-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide (CID 103899429) is 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NCC(C)(C)CCCO)sc1C.
What is the InChIKey of 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide?
The InChIKey is YUGFKJNKTNFKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-12-9-13(19-11(12)2)14(18)16-10-15(3,4)7-6-8-17/h9,17H,5-8,10H2,1-4H3,(H,16,18).
What are the key properties of 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide?
4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 103899429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).