5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide

C11H16BrNO2S — CID 103895550

IUPAC5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-10(2,11(3,4)15)13-9(14)7-5-6-8(12)16-7/h5-6,15H,1-4H3,(H,13,14)
InChIKeyNJYXFXBFFDZQFX-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.79
Rot. Bonds3

About 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide

5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 103895550) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide
PubChem CID103895550
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-10(2,11(3,4)15)13-9(14)7-5-6-8(12)16-7/h5-6,15H,1-4H3,(H,13,14)
InChIKeyNJYXFXBFFDZQFX-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide (CID 103895550) is 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide is CC(C)(O)C(C)(C)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is NJYXFXBFFDZQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-10(2,11(3,4)15)13-9(14)7-5-6-8(12)16-7/h5-6,15H,1-4H3,(H,13,14).
What are the key properties of 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide?
5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 306.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103895550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).