1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone

C14H20ClNOS — CID 104690747

IUPAC1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
SMILESCCC1CCCCCN1CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H20ClNOS/c1-2-11-6-4-3-5-9-16(11)10-12(17)13-7-8-14(15)18-13/h7-8,11H,2-6,9-10H2,1H3
InChIKeyAKRWHAFMFYNHEG-UHFFFAOYSA-N
MW285.84 g/mol
LogP4.24
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone (PubChem CID 104690747) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
PubChem CID104690747
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
SMILESCCC1CCCCCN1CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H20ClNOS/c1-2-11-6-4-3-5-9-16(11)10-12(17)13-7-8-14(15)18-13/h7-8,11H,2-6,9-10H2,1H3
InChIKeyAKRWHAFMFYNHEG-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(5-ethylthiophen-2-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62050766
1-(2-ethylazepan-1-yl)butan-2-one
CID 104690718
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
CID 104690736
2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 112692580
1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 62369289
1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43795192
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 63395374

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone (CID 104690747) is 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone is CCC1CCCCCN1CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone?
The InChIKey is AKRWHAFMFYNHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-2-11-6-4-3-5-9-16(11)10-12(17)13-7-8-14(15)18-13/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone has a molecular weight of 285.84 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone is sourced from PubChem (CID 104690747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).