5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide

C11H16BrNO2S — CID 55209143

IUPAC5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-3-11(4-2,7-14)13-10(15)8-5-6-9(12)16-8/h5-6,14H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyLWBQKDWMXZFCFV-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.79
Rot. Bonds5

About 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide

5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide (PubChem CID 55209143) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
PubChem CID55209143
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-3-11(4-2,7-14)13-10(15)8-5-6-9(12)16-8/h5-6,14H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyLWBQKDWMXZFCFV-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-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55081960
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 103895550
N-[3-(bromomethyl)pentan-3-yl]-5-methylthiophene-2-carboxamide
CID 114315214
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-2-methylbutanoic acid
CID 119199151
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide
CID 62522095
4-bromo-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 81295658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide (CID 55209143) is 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide is CCC(CC)(CO)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide?
The InChIKey is LWBQKDWMXZFCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-3-11(4-2,7-14)13-10(15)8-5-6-9(12)16-8/h5-6,14H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide?
5-bromo-N-[3-(hydroxymethyl)pentan-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-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55209143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).