N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide

C17H21NOS — CID 10266083

IUPACN-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide
SMILESCCC(=O)NC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C17H21NOS/c1-2-16(19)18-17(10-6-3-7-11-17)15-12-13-8-4-5-9-14(13)20-15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)
InChIKeyAASFVTPJPZTAEU-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.59
Rot. Bonds3

About N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide

N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide (PubChem CID 10266083) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide
PubChem CID10266083
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide
SMILESCCC(=O)NC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C17H21NOS/c1-2-16(19)18-17(10-6-3-7-11-17)15-12-13-8-4-5-9-14(13)20-15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)
InChIKeyAASFVTPJPZTAEU-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one
CID 174424809
1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine
CID 10424083
N-(1-quinolin-2-ylcyclohexyl)propanamide
CID 137371294
N-(1-phenylcyclopropyl)propanamide
CID 110441332
2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 74763717
N-(1-phenylcyclohexyl)butanamide
CID 110478581
2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid
CID 64673369
4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methylphenol
CID 141409415
[1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidin-3-yl]methyl acetate
CID 10429320
1-[(1S,3S)-1-(1-benzothiophen-2-yl)-3-methylcyclohexyl]piperidine
CID 10245081
benzene;methyl 2-[[1-(1-benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]acetate
CID 143504673
ethane;N-[1-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-benzothiophene-2-carboxamide;methylsulfanylethane
CID 143504615

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide (CID 10266083) is N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide is CCC(=O)NC1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide?
The InChIKey is AASFVTPJPZTAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-16(19)18-17(10-6-3-7-11-17)15-12-13-8-4-5-9-14(13)20-15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide?
N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide has a molecular weight of 287.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide is sourced from PubChem (CID 10266083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).