N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide

C17H21NOS — CID 87005605

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1csc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21NOS/c19-17(13-6-2-1-3-7-13)18-11-10-14-12-20-16-9-5-4-8-15(14)16/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19)
InChIKeyUURXSDVXDJWZEF-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.14
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide

N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide (PubChem CID 87005605) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
PubChem CID87005605
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1csc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21NOS/c19-17(13-6-2-1-3-7-13)18-11-10-14-12-20-16-9-5-4-8-15(14)16/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19)
InChIKeyUURXSDVXDJWZEF-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119296481
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578
N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296484
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
N-[2-(1-benzothiophen-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 87005642
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-[2-(1-benzothiophen-3-yl)ethyl]adamantane-1-carboxamide
CID 112836999
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[2-(1-benzothiophen-3-yl)ethyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 112837126
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
N-[2-(1-benzothiophen-3-yl)ethyl]-1-butylsulfonylpyrrolidine-2-carboxamide
CID 87005765

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide (CID 87005605) is N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide is O=C(NCCc1csc2ccccc12)C1CCCCC1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is UURXSDVXDJWZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-17(13-6-2-1-3-7-13)18-11-10-14-12-20-16-9-5-4-8-15(14)16/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 287.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 87005605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).