5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide

C13H19NOS — CID 18157799

IUPAC5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(C)CC2)s1
InChIInChI=1S/C13H19NOS/c1-9-3-6-11(7-4-9)14-13(15)12-8-5-10(2)16-12/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeyDGTZSAPLILDWRS-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.37
Rot. Bonds2

About 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide

5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide (PubChem CID 18157799) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
PubChem CID18157799
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(C)CC2)s1
InChIInChI=1S/C13H19NOS/c1-9-3-6-11(7-4-9)14-13(15)12-8-5-10(2)16-12/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeyDGTZSAPLILDWRS-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide (CID 18157799) is 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCC(C)CC2)s1.
What is the InChIKey of 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide?
The InChIKey is DGTZSAPLILDWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-3-6-11(7-4-9)14-13(15)12-8-5-10(2)16-12/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide?
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 18157799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).