(E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide

C15H21NOS — CID 2326325

IUPAC(E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1cccs1)C1CCCCC1
InChIInChI=1S/C15H21NOS/c1-2-16(13-7-4-3-5-8-13)15(17)11-10-14-9-6-12-18-14/h6,9-13H,2-5,7-8H2,1H3/b11-10+
InChIKeyPHRKRUBQTGSLDB-ZHACJKMWSA-N
MW263.41 g/mol
LogP3.94
Rot. Bonds4

About (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide

(E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 2326325) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide
PubChem CID2326325
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1cccs1)C1CCCCC1
InChIInChI=1S/C15H21NOS/c1-2-16(13-7-4-3-5-8-13)15(17)11-10-14-9-6-12-18-14/h6,9-13H,2-5,7-8H2,1H3/b11-10+
InChIKeyPHRKRUBQTGSLDB-ZHACJKMWSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide (CID 2326325) is (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide is CCN(C(=O)/C=C/c1cccs1)C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PHRKRUBQTGSLDB-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-16(13-7-4-3-5-8-13)15(17)11-10-14-9-6-12-18-14/h6,9-13H,2-5,7-8H2,1H3/b11-10+.
What are the key properties of (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 263.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2326325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).