N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H24N2OS — CID 79700880

IUPACN-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C17H24N2OS/c1-2-19(12-13-7-9-18-10-8-13)17(20)16-11-14-5-3-4-6-15(14)21-16/h3-6,13,16,18H,2,7-12H2,1H3
InChIKeyYZNLNEDYJGPXTI-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.55
Rot. Bonds4

About N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 79700880) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID79700880
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C17H24N2OS/c1-2-19(12-13-7-9-18-10-8-13)17(20)16-11-14-5-3-4-6-15(14)21-16/h3-6,13,16,18H,2,7-12H2,1H3
InChIKeyYZNLNEDYJGPXTI-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-N-(cyanomethyl)-2-[(phenylsulfanyl)methyl]cyclohexane-1-carboxamide
CID 10214815
(1R,2R)-N-(cyanomethyl)-2-{[(4-methylphenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10308440
1-[2-(4-Methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
CID 886822
N-butyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2886275
3-phenyl-N-[2-(phenylthio)ethyl]propanamide
CID 2205200
N-ethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 4246167
N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide
CID 4518969
trans-(1S,2R)-2-benzylsulfanyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 11551007
cis-(1S,2S)-2-benzylsulfanyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 44407059
2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide
CID 44411584
2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide
CID 44411913
2-amino-N-[(2R)-4-cyclohexyl-1-oxo-1-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butan-2-yl]-2-methylpropanamide;hydrochloride
CID 45259496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 79700880) is N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is CCN(CC1CCNCC1)C(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is YZNLNEDYJGPXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-19(12-13-7-9-18-10-8-13)17(20)16-11-14-5-3-4-6-15(14)21-16/h3-6,13,16,18H,2,7-12H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79700880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).