N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide

C17H18N2O2S — CID 175230517

IUPACN'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide
SMILESCC(Cc1ccc(O)cc1)C(=O)NNC(=S)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-12(11-13-7-9-15(20)10-8-13)16(21)18-19-17(22)14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyOXHKQTGUILZMBP-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.57
Rot. Bonds4

About N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide

N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide (PubChem CID 175230517) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide
PubChem CID175230517
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide
SMILESCC(Cc1ccc(O)cc1)C(=O)NNC(=S)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-12(11-13-7-9-15(20)10-8-13)16(21)18-19-17(22)14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyOXHKQTGUILZMBP-UHFFFAOYSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
CID 22215051
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 13017548
ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate
CID 18692564
2-[(2-chloro-2-phenylacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 70006715
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
2-[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-3-phenylpropanoic acid
CID 19955185
2-[[2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 18239985
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 11582709
N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 87926791
(2R)-3-(4-hydroxyphenyl)-2-[[2-methyl-3-(methylamino)propanoyl]amino]propanoic acid
CID 103870739
2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 171150433

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide?
The IUPAC name of N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide (CID 175230517) is N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide.
What is the SMILES notation for N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide?
The canonical SMILES for N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide is CC(Cc1ccc(O)cc1)C(=O)NNC(=S)c1ccccc1.
What is the InChIKey of N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide?
The InChIKey is OXHKQTGUILZMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12(11-13-7-9-15(20)10-8-13)16(21)18-19-17(22)14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide?
N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide has a molecular weight of 314.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarbonothioyl)-3-(4-hydroxyphenyl)-2-methylpropanehydrazide is sourced from PubChem (CID 175230517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).