(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide

C15H15NOS2 — CID 9483071

IUPAC(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCSc1ccccc1
InChIInChI=1S/C15H15NOS2/c17-15(9-8-14-7-4-11-18-14)16-10-12-19-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,16,17)/b9-8+
InChIKeyBRAACDFFWCYUAA-CMDGGOBGSA-N
MW289.43 g/mol
LogP3.67
Rot. Bonds6

About (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 9483071) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID9483071
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC Name(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCSc1ccccc1
InChIInChI=1S/C15H15NOS2/c17-15(9-8-14-7-4-11-18-14)16-10-12-19-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,16,17)/b9-8+
InChIKeyBRAACDFFWCYUAA-CMDGGOBGSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 27708228
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
3-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2873741
(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 9482873
(E)-N-[(2S)-2-hydroxy-2-phenylpropyl]-3-thiophen-2-ylprop-2-enamide
CID 95367977
N-methyl-4-[(E)-3-oxo-3-(2-phenylsulfanylethylamino)prop-1-enyl]benzamide
CID 134002494
2,2-dimethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid
CID 81370089

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide (CID 9483071) is (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCCSc1ccccc1.
What is the InChIKey of (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is BRAACDFFWCYUAA-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NOS2/c17-15(9-8-14-7-4-11-18-14)16-10-12-19-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,16,17)/b9-8+.
What are the key properties of (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 289.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 9483071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).