5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide

C11H16BrNO2S — CID 103945941

IUPAC5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-3-11(2,6-7-14)13-10(15)8-4-5-9(12)16-8/h4-5,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyMBKVLFNCGWUTLT-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.79
Rot. Bonds5

About 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide

5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide (PubChem CID 103945941) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
PubChem CID103945941
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-3-11(2,6-7-14)13-10(15)8-4-5-9(12)16-8/h4-5,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyMBKVLFNCGWUTLT-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103946183
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 113356537
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55209143
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 103895550
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 64555417
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 110003162
N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110002144
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106168914

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide (CID 103945941) is 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide is CCC(C)(CCO)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide?
The InChIKey is MBKVLFNCGWUTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-3-11(2,6-7-14)13-10(15)8-4-5-9(12)16-8/h4-5,14H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide?
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide has a molecular weight of 306.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103945941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).