(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide

C14H12N2O2S2 — CID 922886

IUPAC(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1O
InChIInChI=1S/C14H12N2O2S2/c17-12-6-2-1-5-11(12)15-14(19)16-13(18)8-7-10-4-3-9-20-10/h1-9,17H,(H2,15,16,18,19)/b8-7+
InChIKeyRNLLQPORVBXUMN-BQYQJAHWSA-N
MW304.40 g/mol
LogP2.98
Rot. Bonds3

About (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 922886) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID922886
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1O
InChIInChI=1S/C14H12N2O2S2/c17-12-6-2-1-5-11(12)15-14(19)16-13(18)8-7-10-4-3-9-20-10/h1-9,17H,(H2,15,16,18,19)/b8-7+
InChIKeyRNLLQPORVBXUMN-BQYQJAHWSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide (CID 922886) is (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1O.
What is the InChIKey of (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RNLLQPORVBXUMN-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c17-12-6-2-1-5-11(12)15-14(19)16-13(18)8-7-10-4-3-9-20-10/h1-9,17H,(H2,15,16,18,19)/b8-7+.
What are the key properties of (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 304.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 922886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).