(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide

C18H19NO2S — CID 6346464

IUPAC(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(NC[C@@H]1CCCO1)/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C18H19NO2S/c20-18(19-13-15-8-4-10-21-15)17(12-16-9-5-11-22-16)14-6-2-1-3-7-14/h1-3,5-7,9,11-12,15H,4,8,10,13H2,(H,19,20)/b17-12+/t15-/m0/s1
InChIKeyIMSNATLFYGIVGM-YSKWHIJTSA-N
MW313.42 g/mol
LogP3.58
Rot. Bonds5

About (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide

(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 6346464) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide
PubChem CID6346464
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(NC[C@@H]1CCCO1)/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C18H19NO2S/c20-18(19-13-15-8-4-10-21-15)17(12-16-9-5-11-22-16)14-6-2-1-3-7-14/h1-3,5-7,9,11-12,15H,4,8,10,13H2,(H,19,20)/b17-12+/t15-/m0/s1
InChIKeyIMSNATLFYGIVGM-YSKWHIJTSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
(E)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylprop-2-enamide
CID 1121502
1-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
CID 9410123
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
(2E)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-2-[(5Z)-4-oxo-3-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 6598580
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 47006892
(Z)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 2369962
N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95983382
N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide
CID 90613141
1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 91812758

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide (CID 6346464) is (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide is O=C(NC[C@@H]1CCCO1)/C(=C/c1cccs1)c1ccccc1.
What is the InChIKey of (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is IMSNATLFYGIVGM-YSKWHIJTSA-N. The full InChI is InChI=1S/C18H19NO2S/c20-18(19-13-15-8-4-10-21-15)17(12-16-9-5-11-22-16)14-6-2-1-3-7-14/h1-3,5-7,9,11-12,15H,4,8,10,13H2,(H,19,20)/b17-12+/t15-/m0/s1.
What are the key properties of (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 313.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6346464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).