2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid

C14H19NO3S — CID 29045233

IUPAC2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
SMILESO=C(CCC1CCCCC1)Nc1sccc1C(=O)O
InChIInChI=1S/C14H19NO3S/c16-12(7-6-10-4-2-1-3-5-10)15-13-11(14(17)18)8-9-19-13/h8-10H,1-7H2,(H,15,16)(H,17,18)
InChIKeyUXOFYXLQUHBYIQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.75
Rot. Bonds5

About 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid

2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid (PubChem CID 29045233) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
PubChem CID29045233
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
SMILESO=C(CCC1CCCCC1)Nc1sccc1C(=O)O
InChIInChI=1S/C14H19NO3S/c16-12(7-6-10-4-2-1-3-5-10)15-13-11(14(17)18)8-9-19-13/h8-10H,1-7H2,(H,15,16)(H,17,18)
InChIKeyUXOFYXLQUHBYIQ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid
CID 43357298
2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid
CID 63614356
2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
CID 83235309
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-3-carboxylic acid
CID 43357239
2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764
4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
CID 63116323
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
CID 107223856
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid (CID 29045233) is 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid is O=C(CCC1CCCCC1)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid?
The InChIKey is UXOFYXLQUHBYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-12(7-6-10-4-2-1-3-5-10)15-13-11(14(17)18)8-9-19-13/h8-10H,1-7H2,(H,15,16)(H,17,18).
What are the key properties of 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid?
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 29045233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).