N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride

C11H18Cl2N2OS — CID 119523677

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCc1cc(Cl)cs1.Cl
InChIInChI=1S/C11H17ClN2OS.ClH/c1-11(2,7-13)14-10(15)4-3-9-5-8(12)6-16-9;/h5-6H,3-4,7,13H2,1-2H3,(H,14,15);1H
InChIKeyMDTGOUZGJCYRJU-UHFFFAOYSA-N
MW297.25 g/mol
LogP2.61
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride (PubChem CID 119523677) has the molecular formula C11H18Cl2N2OS and a molecular weight of 297.25 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride
PubChem CID119523677
Molecular FormulaC11H18Cl2N2OS
Molecular Weight297.25 g/mol
Exact Mass296.05
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCc1cc(Cl)cs1.Cl
InChIInChI=1S/C11H17ClN2OS.ClH/c1-11(2,7-13)14-10(15)4-3-9-5-8(12)6-16-9;/h5-6H,3-4,7,13H2,1-2H3,(H,14,15);1H
InChIKeyMDTGOUZGJCYRJU-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide
CID 119599230
2-[3-(4-chlorothiophen-2-yl)propanoylamino]-2-methylbutanoic acid
CID 119199335
N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119522559
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119522730
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119600366
N-(1-amino-2-methylpropan-2-yl)-3-(2-chloro-5-fluorophenyl)propanamide
CID 110833378
N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
CID 110833364
N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide
CID 119524062
N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
CID 119522264
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 119522821
N-(1-amino-2-methylpropan-2-yl)-3-(furan-2-yl)propanamide
CID 63193685
2-[[3-(4-chlorothiophen-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253210

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride (CID 119523677) is N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride is CC(C)(CN)NC(=O)CCc1cc(Cl)cs1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride?
The InChIKey is MDTGOUZGJCYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS.ClH/c1-11(2,7-13)14-10(15)4-3-9-5-8(12)6-16-9;/h5-6H,3-4,7,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride has a molecular weight of 297.25 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119523677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).