(Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one

C20H17NO2S — CID 10065543

IUPAC(Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C\N(O)Cc1ccc(-c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H17NO2S/c22-19(20-7-4-14-24-20)12-13-21(23)15-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-14,23H,15H2/b13-12-
InChIKeyVQONQZYZOTTYAJ-SEYXRHQNSA-N
MW335.43 g/mol
LogP5.00
Rot. Bonds6

About (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one

(Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 10065543) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one
PubChem CID10065543
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name(Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C\N(O)Cc1ccc(-c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C20H17NO2S/c22-19(20-7-4-14-24-20)12-13-21(23)15-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-14,23H,15H2/b13-12-
InChIKeyVQONQZYZOTTYAJ-SEYXRHQNSA-N
XLogP5.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one (CID 10065543) is (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one is O=C(/C=C\N(O)Cc1ccc(-c2ccccc2)cc1)c1cccs1.
What is the InChIKey of (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is VQONQZYZOTTYAJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C20H17NO2S/c22-19(20-7-4-14-24-20)12-13-21(23)15-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-14,23H,15H2/b13-12-.
What are the key properties of (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one?
(Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 335.43 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 10065543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).