N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride

C16H23ClN2OS — CID 119629500

IUPACN-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CCCc1csc2ccccc12.Cl
InChIInChI=1S/C16H22N2OS.ClH/c1-16(2,17)11-18-15(19)9-5-6-12-10-20-14-8-4-3-7-13(12)14;/h3-4,7-8,10H,5-6,9,11,17H2,1-2H3,(H,18,19);1H
InChIKeyATJGEQFIHOGUJD-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.50
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride (PubChem CID 119629500) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
PubChem CID119629500
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC NameN-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CCCc1csc2ccccc12.Cl
InChIInChI=1S/C16H22N2OS.ClH/c1-16(2,17)11-18-15(19)9-5-6-12-10-20-14-8-4-3-7-13(12)14;/h3-4,7-8,10H,5-6,9,11,17H2,1-2H3,(H,18,19);1H
InChIKeyATJGEQFIHOGUJD-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433107
N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
CID 119604150
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116847650
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide
CID 112836983
4-(1-benzothiophen-3-yl)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119492353
5-[2-(1-benzothiophen-3-yl)ethylamino]pentan-2-one
CID 115236729
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 112837134
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(1-benzothiophen-3-yl)butan-1-one
CID 119412480
1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide
CID 119159265
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride (CID 119629500) is N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride is CC(C)(N)CNC(=O)CCCc1csc2ccccc12.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride?
The InChIKey is ATJGEQFIHOGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS.ClH/c1-16(2,17)11-18-15(19)9-5-6-12-10-20-14-8-4-3-7-13(12)14;/h3-4,7-8,10H,5-6,9,11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119629500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).