2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride

C18H25ClN2OS — CID 18607203

IUPAC2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride
SMILESCN[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-19-15-7-3-4-8-16(15)20(2)18(21)12-13-6-5-9-17-14(13)10-11-22-17;/h5-6,9-11,15-16,19H,3-4,7-8,12H2,1-2H3;1H/t15-,16-;/m1./s1
InChIKeyNWWBCKKLRRDKIW-QNBGGDODSA-N
MW352.93 g/mol
LogP3.85
Rot. Bonds4

About 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride

2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride (PubChem CID 18607203) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride
PubChem CID18607203
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC Name2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride
SMILESCN[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-19-15-7-3-4-8-16(15)20(2)18(21)12-13-6-5-9-17-14(13)10-11-22-17;/h5-6,9-11,15-16,19H,3-4,7-8,12H2,1-2H3;1H/t15-,16-;/m1./s1
InChIKeyNWWBCKKLRRDKIW-QNBGGDODSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride?
The IUPAC name of 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride (CID 18607203) is 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride?
The canonical SMILES for 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride is CN[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12.Cl.
What is the InChIKey of 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride?
The InChIKey is NWWBCKKLRRDKIW-QNBGGDODSA-N. The full InChI is InChI=1S/C18H24N2OS.ClH/c1-19-15-7-3-4-8-16(15)20(2)18(21)12-13-6-5-9-17-14(13)10-11-22-17;/h5-6,9-11,15-16,19H,3-4,7-8,12H2,1-2H3;1H/t15-,16-;/m1./s1.
What are the key properties of 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride?
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 18607203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).