4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide

C14H23NO2S — CID 103933173

IUPAC4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC(C)(C)C(C)(C)O)sc1C
InChIInChI=1S/C14H23NO2S/c1-7-10-8-11(18-9(10)2)12(16)15-13(3,4)14(5,6)17/h8,17H,7H2,1-6H3,(H,15,16)
InChIKeyADADURDJYNBBPJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.90
Rot. Bonds4

About 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide

4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 103933173) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID103933173
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC(C)(C)C(C)(C)O)sc1C
InChIInChI=1S/C14H23NO2S/c1-7-10-8-11(18-9(10)2)12(16)15-13(3,4)14(5,6)17/h8,17H,7H2,1-6H3,(H,15,16)
InChIKeyADADURDJYNBBPJ-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide (CID 103933173) is 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NC(C)(C)C(C)(C)O)sc1C.
What is the InChIKey of 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is ADADURDJYNBBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-7-10-8-11(18-9(10)2)12(16)15-13(3,4)14(5,6)17/h8,17H,7H2,1-6H3,(H,15,16).
What are the key properties of 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide?
4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 269.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 103933173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).