1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone

C14H20ClNOS — CID 2422824

IUPAC1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(Cl)s1)C1CCCCC1
InChIInChI=1S/C14H20ClNOS/c1-2-16(11-6-4-3-5-7-11)10-12(17)13-8-9-14(15)18-13/h8-9,11H,2-7,10H2,1H3
InChIKeyYXZBVXVAAYZAOZ-UHFFFAOYSA-N
MW285.84 g/mol
LogP4.24
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone

1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone (PubChem CID 2422824) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone
PubChem CID2422824
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(Cl)s1)C1CCCCC1
InChIInChI=1S/C14H20ClNOS/c1-2-16(11-6-4-3-5-7-11)10-12(17)13-8-9-14(15)18-13/h8-9,11H,2-7,10H2,1H3
InChIKeyYXZBVXVAAYZAOZ-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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CID 82282703
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CID 55010219
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CID 55010358
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone (CID 2422824) is 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone is CCN(CC(=O)c1ccc(Cl)s1)C1CCCCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone?
The InChIKey is YXZBVXVAAYZAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-2-16(11-6-4-3-5-7-11)10-12(17)13-8-9-14(15)18-13/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone has a molecular weight of 285.84 g/mol, XLogP of 4.24, 5 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-[cyclohexyl(ethyl)amino]ethanone is sourced from PubChem (CID 2422824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).