5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide

C14H21NO2S — CID 102634720

IUPAC5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C2CCCCC2O)s1
InChIInChI=1S/C14H21NO2S/c1-3-10-8-9-13(18-10)14(17)15(2)11-6-4-5-7-12(11)16/h8-9,11-12,16H,3-7H2,1-2H3
InChIKeyKRSMYKFTQQHYCA-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.69
Rot. Bonds3

About 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide

5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide (PubChem CID 102634720) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide
PubChem CID102634720
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C2CCCCC2O)s1
InChIInChI=1S/C14H21NO2S/c1-3-10-8-9-13(18-10)14(17)15(2)11-6-4-5-7-12(11)16/h8-9,11-12,16H,3-7H2,1-2H3
InChIKeyKRSMYKFTQQHYCA-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide (CID 102634720) is 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide is CCc1ccc(C(=O)N(C)C2CCCCC2O)s1.
What is the InChIKey of 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide?
The InChIKey is KRSMYKFTQQHYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-10-8-9-13(18-10)14(17)15(2)11-6-4-5-7-12(11)16/h8-9,11-12,16H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide?
5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide has a molecular weight of 267.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 102634720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).