2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride

C21H29ClN2OS — CID 22418285

IUPAC2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
SMILESCN(C(=O)Cc1csc2ccccc12)C1CCCCC1N1CCCC1.Cl
InChIInChI=1S/C21H28N2OS.ClH/c1-22(18-9-3-4-10-19(18)23-12-6-7-13-23)21(24)14-16-15-25-20-11-5-2-8-17(16)20;/h2,5,8,11,15,18-19H,3-4,6-7,9-10,12-14H2,1H3;1H
InChIKeyPXMNFXCFJWBAAR-UHFFFAOYSA-N
MW393.00 g/mol
LogP4.73
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride

2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride (PubChem CID 22418285) has the molecular formula C21H29ClN2OS and a molecular weight of 393.00 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
PubChem CID22418285
Molecular FormulaC21H29ClN2OS
Molecular Weight393.00 g/mol
Exact Mass392.17
IUPAC Name2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
SMILESCN(C(=O)Cc1csc2ccccc12)C1CCCCC1N1CCCC1.Cl
InChIInChI=1S/C21H28N2OS.ClH/c1-22(18-9-3-4-10-19(18)23-12-6-7-13-23)21(24)14-16-15-25-20-11-5-2-8-17(16)20;/h2,5,8,11,15,18-19H,3-4,6-7,9-10,12-14H2,1H3;1H
InChIKeyPXMNFXCFJWBAAR-UHFFFAOYSA-N
XLogP4.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.00
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
CID 14040470
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CID 70693910
N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride
CID 154578112
2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 54611509
N-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 14040444
N-methyl-2-phenylsulfanyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 18603294
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
N-methyl-2-phenoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877991
2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 23571636
N-methyl-2-(4-nitrophenyl)-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 14632710
N-methyl-2-(3-phenyl-1-benzofuran-5-yl)-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 54228499
N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-9H-fluorene-9-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride (CID 22418285) is 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride is CN(C(=O)Cc1csc2ccccc12)C1CCCCC1N1CCCC1.Cl.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride?
The InChIKey is PXMNFXCFJWBAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS.ClH/c1-22(18-9-3-4-10-19(18)23-12-6-7-13-23)21(24)14-16-15-25-20-11-5-2-8-17(16)20;/h2,5,8,11,15,18-19H,3-4,6-7,9-10,12-14H2,1H3;1H.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride?
2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride has a molecular weight of 393.00 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 22418285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).