N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide

C15H21NO2S — CID 71810375

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCOC(CNC(=O)C1CC=CCC1)c1ccc(C)s1
InChIInChI=1S/C15H21NO2S/c1-11-8-9-14(19-11)13(18-2)10-16-15(17)12-6-4-3-5-7-12/h3-4,8-9,12-13H,5-7,10H2,1-2H3,(H,16,17)
InChIKeyIUUZNUDRDLPBHH-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.22
Rot. Bonds5

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71810375) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID71810375
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCOC(CNC(=O)C1CC=CCC1)c1ccc(C)s1
InChIInChI=1S/C15H21NO2S/c1-11-8-9-14(19-11)13(18-2)10-16-15(17)12-6-4-3-5-7-12/h3-4,8-9,12-13H,5-7,10H2,1-2H3,(H,16,17)
InChIKeyIUUZNUDRDLPBHH-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide (CID 71810375) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide is COC(CNC(=O)C1CC=CCC1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is IUUZNUDRDLPBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-8-9-14(19-11)13(18-2)10-16-15(17)12-6-4-3-5-7-12/h3-4,8-9,12-13H,5-7,10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71810375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).