4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

C14H19NO3S — CID 63784485

IUPAC4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C14H19NO3S/c16-13(15-8-7-12-2-1-9-19-12)10-3-5-11(6-4-10)14(17)18/h1-2,9-11H,3-8H2,(H,15,16)(H,17,18)
InChIKeyQIHHUAVPCNPISA-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.30
Rot. Bonds5

About 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63784485) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63784485
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C14H19NO3S/c16-13(15-8-7-12-2-1-9-19-12)10-3-5-11(6-4-10)14(17)18/h1-2,9-11H,3-8H2,(H,15,16)(H,17,18)
InChIKeyQIHHUAVPCNPISA-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810022
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63784485) is 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCc2cccs2)CC1.
What is the InChIKey of 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is QIHHUAVPCNPISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-13(15-8-7-12-2-1-9-19-12)10-3-5-11(6-4-10)14(17)18/h1-2,9-11H,3-8H2,(H,15,16)(H,17,18).
What are the key properties of 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).