(Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide

C16H15NO2S — CID 97359891

IUPAC(Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C\c1ccsc1)N[C@@H]1CCc2c(O)cccc21
InChIInChI=1S/C16H15NO2S/c18-15-3-1-2-12-13(15)5-6-14(12)17-16(19)7-4-11-8-9-20-10-11/h1-4,7-10,14,18H,5-6H2,(H,17,19)/b7-4-/t14-/m1/s1
InChIKeyMYIXQDXIQNHHJK-HJHHMULASA-N
MW285.37 g/mol
LogP3.27
Rot. Bonds3

About (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide

(Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 97359891) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide
PubChem CID97359891
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name(Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C\c1ccsc1)N[C@@H]1CCc2c(O)cccc21
InChIInChI=1S/C16H15NO2S/c18-15-3-1-2-12-13(15)5-6-14(12)17-16(19)7-4-11-8-9-20-10-11/h1-4,7-10,14,18H,5-6H2,(H,17,19)/b7-4-/t14-/m1/s1
InChIKeyMYIXQDXIQNHHJK-HJHHMULASA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide (CID 97359891) is (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide is O=C(/C=C\c1ccsc1)N[C@@H]1CCc2c(O)cccc21.
What is the InChIKey of (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is MYIXQDXIQNHHJK-HJHHMULASA-N. The full InChI is InChI=1S/C16H15NO2S/c18-15-3-1-2-12-13(15)5-6-14(12)17-16(19)7-4-11-8-9-20-10-11/h1-4,7-10,14,18H,5-6H2,(H,17,19)/b7-4-/t14-/m1/s1.
What are the key properties of (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide?
(Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 285.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 97359891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).