N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide

C22H32N2O2S — CID 110259945

IUPACN-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESCOCCNC(=O)c1sc2ccccc2c1CC1CCCCN1CC(C)C
InChIInChI=1S/C22H32N2O2S/c1-16(2)15-24-12-7-6-8-17(24)14-19-18-9-4-5-10-20(18)27-21(19)22(25)23-11-13-26-3/h4-5,9-10,16-17H,6-8,11-15H2,1-3H3,(H,23,25)
InChIKeyTWWCVPQUHFCSSB-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.33
Rot. Bonds8

About N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide

N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 110259945) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID110259945
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC NameN-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESCOCCNC(=O)c1sc2ccccc2c1CC1CCCCN1CC(C)C
InChIInChI=1S/C22H32N2O2S/c1-16(2)15-24-12-7-6-8-17(24)14-19-18-9-4-5-10-20(18)27-21(19)22(25)23-11-13-26-3/h4-5,9-10,16-17H,6-8,11-15H2,1-3H3,(H,23,25)
InChIKeyTWWCVPQUHFCSSB-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 95830393
3-[[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 95830392
3-[[(2S)-1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 95830461
N-(2-methoxyethyl)-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 110259928
N-(2-methoxyethyl)-3-[[1-(5-methylpyrazine-2-carbonyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 110259917
3-(azepan-2-ylmethyl)-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110085503
3-[[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 95830643
3-[[1-(dimethylsulfamoyl)piperidin-2-yl]methyl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 110259969
3-[(1-acetylazepan-2-yl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 110260131
3-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110251137
3-[(4-methylphenyl)methyl]-N-(4-pyrrolidin-1-ylbutyl)-1-benzothiophene-2-carboxamide
CID 110497025
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 19008809

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide (CID 110259945) is N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide is COCCNC(=O)c1sc2ccccc2c1CC1CCCCN1CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is TWWCVPQUHFCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S/c1-16(2)15-24-12-7-6-8-17(24)14-19-18-9-4-5-10-20(18)27-21(19)22(25)23-11-13-26-3/h4-5,9-10,16-17H,6-8,11-15H2,1-3H3,(H,23,25).
What are the key properties of N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide?
N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 388.58 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110259945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).