5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid

C14H19NO3S — CID 43209838

IUPAC5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)CC2CCCCC2)sc1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-9-7-12(19-13(9)14(17)18)15-11(16)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyRCDNBAGFLVEMEP-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.66
Rot. Bonds4

About 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43209838) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID43209838
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)CC2CCCCC2)sc1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-9-7-12(19-13(9)14(17)18)15-11(16)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyRCDNBAGFLVEMEP-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid (CID 43209838) is 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)CC2CCCCC2)sc1C(=O)O.
What is the InChIKey of 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is RCDNBAGFLVEMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-7-12(19-13(9)14(17)18)15-11(16)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexylacetyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43209838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).