2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide

C12H18BrNO2S — CID 111447118

IUPAC2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCC(O)CC(C)CNC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-8(5-9(2)15)7-14-12(16)6-10-3-4-11(13)17-10/h3-4,8-9,15H,5-7H2,1-2H3,(H,14,16)
InChIKeyPJKUBDQHOJWXDA-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.58
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide

2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide (PubChem CID 111447118) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
PubChem CID111447118
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCC(O)CC(C)CNC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-8(5-9(2)15)7-14-12(16)6-10-3-4-11(13)17-10/h3-4,8-9,15H,5-7H2,1-2H3,(H,14,16)
InChIKeyPJKUBDQHOJWXDA-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509523
2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 111485902
2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide
CID 110767727
N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119588799
4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylbutanoic acid
CID 81063121
N-(4-hydroxy-2-methylpentyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 111447952
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
CID 110767654
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
3-[4-[[2-(5-bromothiophen-2-yl)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541133

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide (CID 111447118) is 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide is CC(O)CC(C)CNC(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The InChIKey is PJKUBDQHOJWXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-8(5-9(2)15)7-14-12(16)6-10-3-4-11(13)17-10/h3-4,8-9,15H,5-7H2,1-2H3,(H,14,16).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide has a molecular weight of 320.25 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide is sourced from PubChem (CID 111447118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).