4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide

C12H18BrNO2S — CID 113492709

IUPAC4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide
SMILESCCC(O)CNC(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-2-9(15)8-14-12(16)5-3-4-10-6-7-11(13)17-10/h6-7,9,15H,2-5,8H2,1H3,(H,14,16)
InChIKeyOXGKXMQQZJCZCP-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.72
Rot. Bonds7

About 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide

4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide (PubChem CID 113492709) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide
PubChem CID113492709
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide
SMILESCCC(O)CNC(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-2-9(15)8-14-12(16)5-3-4-10-6-7-11(13)17-10/h6-7,9,15H,2-5,8H2,1H3,(H,14,16)
InChIKeyOXGKXMQQZJCZCP-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylbutanoic acid
CID 81063121
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433779
2-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylpentanoic acid
CID 43171239
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
4-(5-bromothiophen-2-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846274
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 32774203
4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106353383
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide (CID 113492709) is 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide is CCC(O)CNC(=O)CCCc1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide?
The InChIKey is OXGKXMQQZJCZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-2-9(15)8-14-12(16)5-3-4-10-6-7-11(13)17-10/h6-7,9,15H,2-5,8H2,1H3,(H,14,16).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide?
4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide has a molecular weight of 320.25 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide is sourced from PubChem (CID 113492709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).