N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide

C16H16N4O2S — CID 143848723

IUPACN-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=S)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N4O2S/c1-11(21)18-13-4-2-12(3-5-13)10-17-20-16(23)19-14-6-8-15(22)9-7-14/h2-10,22H,1H3,(H,18,21)(H2,19,20,23)/b17-10+
InChIKeyBWGFGMQNXCYEHF-LICLKQGHSA-N
MW328.40 g/mol
LogP2.67
Rot. Bonds4

About N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide

N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide (PubChem CID 143848723) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide
PubChem CID143848723
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=S)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N4O2S/c1-11(21)18-13-4-2-12(3-5-13)10-17-20-16(23)19-14-6-8-15(22)9-7-14/h2-10,22H,1H3,(H,18,21)(H2,19,20,23)/b17-10+
InChIKeyBWGFGMQNXCYEHF-LICLKQGHSA-N
XLogP2.67
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 916423
N-[4-[(Z)-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 7937343
N-[4-[(octadecylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
CID 3893705
N-[4-[(Z)-[[(2S)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 9175754
N-[(4-acetamidophenyl)methylideneamino]-2-hydroxyacetamide
CID 20982377
1-tert-butyl-3-[(4-hydroxyphenyl)methylideneamino]thiourea
CID 2725308
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
CID 5131994
N-[4-[(Z)-[[(1S,2S)-2-methylcyclohexyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 9122032
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-[4-[(Z)-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 6092962

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide (CID 143848723) is N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=N/NC(=S)Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide?
The InChIKey is BWGFGMQNXCYEHF-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11(21)18-13-4-2-12(3-5-13)10-17-20-16(23)19-14-6-8-15(22)9-7-14/h2-10,22H,1H3,(H,18,21)(H2,19,20,23)/b17-10+.
What are the key properties of N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide?
N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 143848723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).