N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride

C12H20BrClN2OS — CID 119588799

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C12H19BrN2OS.ClH/c1-8(2)5-9(7-14)15-12(16)6-10-3-4-11(13)17-10;/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,16);1H
InChIKeyLWBOXKBPTKSBCK-UHFFFAOYSA-N
MW355.73 g/mol
LogP2.96
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride (PubChem CID 119588799) has the molecular formula C12H20BrClN2OS and a molecular weight of 355.73 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
PubChem CID119588799
Molecular FormulaC12H20BrClN2OS
Molecular Weight355.73 g/mol
Exact Mass354.02
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C12H19BrN2OS.ClH/c1-8(2)5-9(7-14)15-12(16)6-10-3-4-11(13)17-10;/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,16);1H
InChIKeyLWBOXKBPTKSBCK-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.73
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-bromothiophen-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105198819
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride
CID 119585249
N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
CID 119587933
2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447118
N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119572064
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119586507
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509523
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119568475
N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119585818

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride (CID 119588799) is N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride is CC(C)CC(CN)NC(=O)Cc1ccc(Br)s1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
The InChIKey is LWBOXKBPTKSBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS.ClH/c1-8(2)5-9(7-14)15-12(16)6-10-3-4-11(13)17-10;/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride has a molecular weight of 355.73 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119588799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).