N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C18H25NOS — CID 42435425

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H25NOS/c20-17(19-13-10-15-7-2-1-3-8-15)18(11-4-5-12-18)16-9-6-14-21-16/h6-7,9,14H,1-5,8,10-13H2,(H,19,20)
InChIKeyVJEOKGXERHXGCC-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.57
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435425) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435425
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H25NOS/c20-17(19-13-10-15-7-2-1-3-8-15)18(11-4-5-12-18)16-9-6-14-21-16/h6-7,9,14H,1-5,8,10-13H2,(H,19,20)
InChIKeyVJEOKGXERHXGCC-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435425) is N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCCC1=CCCCC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is VJEOKGXERHXGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c20-17(19-13-10-15-7-2-1-3-8-15)18(11-4-5-12-18)16-9-6-14-21-16/h6-7,9,14H,1-5,8,10-13H2,(H,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 303.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).