2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid

C15H21NO3S — CID 43357298

IUPAC2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid
SMILESO=C(CCCC1CCCCC1)Nc1sccc1C(=O)O
InChIInChI=1S/C15H21NO3S/c17-13(8-4-7-11-5-2-1-3-6-11)16-14-12(15(18)19)9-10-20-14/h9-11H,1-8H2,(H,16,17)(H,18,19)
InChIKeyBYMMYTJAWGXTLS-UHFFFAOYSA-N
MW295.40 g/mol
LogP4.14
Rot. Bonds6

About 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid

2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid (PubChem CID 43357298) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid
PubChem CID43357298
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid
SMILESO=C(CCCC1CCCCC1)Nc1sccc1C(=O)O
InChIInChI=1S/C15H21NO3S/c17-13(8-4-7-11-5-2-1-3-6-11)16-14-12(15(18)19)9-10-20-14/h9-11H,1-8H2,(H,16,17)(H,18,19)
InChIKeyBYMMYTJAWGXTLS-UHFFFAOYSA-N
XLogP4.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
CID 83235309
2-aminothiophene-3-carboxylic acid;butylcyclohexane
CID 22053855
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-3-carboxylic acid
CID 43357239
4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 6468323
2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylic acid
CID 63614356
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-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 64912939

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid (CID 43357298) is 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid is O=C(CCCC1CCCCC1)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid?
The InChIKey is BYMMYTJAWGXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-13(8-4-7-11-5-2-1-3-6-11)16-14-12(15(18)19)9-10-20-14/h9-11H,1-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid?
2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 43357298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).