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

C21H29ClN2OS — CID 18607198

IUPAC2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride
SMILESC=CCN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12.Cl
InChIInChI=1S/C21H28N2OS.ClH/c1-4-13-22(2)18-9-5-6-10-19(18)23(3)21(24)15-16-8-7-11-20-17(16)12-14-25-20;/h4,7-8,11-12,14,18-19H,1,5-6,9-10,13,15H2,2-3H3;1H/t18-,19-;/m1./s1
InChIKeyNBQIMFHLPLISPS-STYNFMPRSA-N
MW393.00 g/mol
LogP4.75
Rot. Bonds6

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

2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride (PubChem CID 18607198) has the molecular formula C21H29ClN2OS and a molecular weight of 393.00 g/mol. Its IUPAC name is 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride
PubChem CID18607198
Molecular FormulaC21H29ClN2OS
Molecular Weight393.00 g/mol
Exact Mass392.17
IUPAC Name2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride
SMILESC=CCN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12.Cl
InChIInChI=1S/C21H28N2OS.ClH/c1-4-13-22(2)18-9-5-6-10-19(18)23(3)21(24)15-16-8-7-11-20-17(16)12-14-25-20;/h4,7-8,11-12,14,18-19H,1,5-6,9-10,13,15H2,2-3H3;1H/t18-,19-;/m1./s1
InChIKeyNBQIMFHLPLISPS-STYNFMPRSA-N
XLogP4.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.00
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride?
The IUPAC name of 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride (CID 18607198) is 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride?
The canonical SMILES for 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride is C=CCN(C)[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-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride?
The InChIKey is NBQIMFHLPLISPS-STYNFMPRSA-N. The full InChI is InChI=1S/C21H28N2OS.ClH/c1-4-13-22(2)18-9-5-6-10-19(18)23(3)21(24)15-16-8-7-11-20-17(16)12-14-25-20;/h4,7-8,11-12,14,18-19H,1,5-6,9-10,13,15H2,2-3H3;1H/t18-,19-;/m1./s1.
What are the key properties of 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride?
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride has a molecular weight of 393.00 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 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-[methyl(prop-2-enyl)amino]cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 18607198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).