N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride

C17H23ClN2OS — CID 154578112

IUPACN-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)Cc1csc2ccccc12)C1CCC(N)CC1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-19(14-8-6-13(18)7-9-14)17(20)10-12-11-21-16-5-3-2-4-15(12)16;/h2-5,11,13-14H,6-10,18H2,1H3;1H
InChIKeyXHCGYYLKJZOIRQ-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.59
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride

N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride (PubChem CID 154578112) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride
PubChem CID154578112
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC NameN-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)Cc1csc2ccccc12)C1CCC(N)CC1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-19(14-8-6-13(18)7-9-14)17(20)10-12-11-21-16-5-3-2-4-15(12)16;/h2-5,11,13-14H,6-10,18H2,1H3;1H
InChIKeyXHCGYYLKJZOIRQ-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 22418285
N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 79113125
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
1-(1-benzothiophen-3-yl)-4-cyclohexylbutan-2-one
CID 114965584
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone
CID 65409096
N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride
CID 170897051
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride (CID 154578112) is N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride is CN(C(=O)Cc1csc2ccccc12)C1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride?
The InChIKey is XHCGYYLKJZOIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS.ClH/c1-19(14-8-6-13(18)7-9-14)17(20)10-12-11-21-16-5-3-2-4-15(12)16;/h2-5,11,13-14H,6-10,18H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride has a molecular weight of 338.90 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 154578112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).