N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide

C11H16BrNO2S — CID 115187232

IUPACN-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(CO)C(=O)N(C)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-7(2)8(6-14)11(15)13(3)10-5-4-9(12)16-10/h4-5,7-8,14H,6H2,1-3H3
InChIKeyBBEOINZFDPFHLG-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.74
Rot. Bonds4

About N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide

N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide (PubChem CID 115187232) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
PubChem CID115187232
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC NameN-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(CO)C(=O)N(C)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-7(2)8(6-14)11(15)13(3)10-5-4-9(12)16-10/h4-5,7-8,14H,6H2,1-3H3
InChIKeyBBEOINZFDPFHLG-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187675
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
N-(4-chlorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187219
N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
N-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187249
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803
N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
CID 115173629
4-[(5-bromothiophen-2-yl)-methylamino]-2-methylbutanoic acid
CID 115220620
2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide
CID 115179707
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide (CID 115187232) is N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide is CC(C)C(CO)C(=O)N(C)c1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide?
The InChIKey is BBEOINZFDPFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-7(2)8(6-14)11(15)13(3)10-5-4-9(12)16-10/h4-5,7-8,14H,6H2,1-3H3.
What are the key properties of N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide?
N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide has a molecular weight of 306.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115187232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).