N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride

C11H17Br2ClN2OS — CID 119587933

IUPACN-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cc(Br)sc1Br.Cl
InChIInChI=1S/C11H16Br2N2OS.ClH/c1-6(2)3-7(5-14)15-11(16)8-4-9(12)17-10(8)13;/h4,6-7H,3,5,14H2,1-2H3,(H,15,16);1H
InChIKeySQWWMEGLMSAKHX-UHFFFAOYSA-N
MW420.60 g/mol
LogP3.80
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride (PubChem CID 119587933) has the molecular formula C11H17Br2ClN2OS and a molecular weight of 420.60 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
PubChem CID119587933
Molecular FormulaC11H17Br2ClN2OS
Molecular Weight420.60 g/mol
Exact Mass417.91
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cc(Br)sc1Br.Cl
InChIInChI=1S/C11H16Br2N2OS.ClH/c1-6(2)3-7(5-14)15-11(16)8-4-9(12)17-10(8)13;/h4,6-7H,3,5,14H2,1-2H3,(H,15,16);1H
InChIKeySQWWMEGLMSAKHX-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide
CID 119585627
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872326
2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide
CID 107966027
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
CID 113265743
N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
CID 103807076
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid
CID 103932811
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
CID 103807196
N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119588799
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119586236

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride (CID 119587933) is N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cc(Br)sc1Br.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride?
The InChIKey is SQWWMEGLMSAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2OS.ClH/c1-6(2)3-7(5-14)15-11(16)8-4-9(12)17-10(8)13;/h4,6-7H,3,5,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride has a molecular weight of 420.60 g/mol, XLogP of 3.80, 5 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-dibromothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119587933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).