N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide

C15H14N2O2S — CID 909226

IUPACN-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N2O2S/c1-10-2-4-11(5-3-10)14(19)17-15(20)16-12-6-8-13(18)9-7-12/h2-9,18H,1H3,(H2,16,17,19,20)
InChIKeyYVMXWJGRFONCKN-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.83
Rot. Bonds2

About N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide

N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide (PubChem CID 909226) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide
PubChem CID909226
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N2O2S/c1-10-2-4-11(5-3-10)14(19)17-15(20)16-12-6-8-13(18)9-7-12/h2-9,18H,1H3,(H2,16,17,19,20)
InChIKeyYVMXWJGRFONCKN-UHFFFAOYSA-N
XLogP2.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-carbamoylphenyl)carbamothioyl]-4-methylbenzamide
CID 909235
N-[(4-aminophenyl)carbamothioyl]-4-methylbenzamide
CID 87562968
4-methyl-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 1306540
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 17340536
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 4948819
N-[(4-hydroxyphenyl)carbamothioyl]-4-nitrobenzamide
CID 3470805
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 21205662
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 1209279
N-[(3-acetamido-4-methylphenyl)carbamothioyl]-4-methylbenzamide
CID 54777506
4-methyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17233692

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide?
The IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide (CID 909226) is N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide?
The canonical SMILES for N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide?
The InChIKey is YVMXWJGRFONCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-2-4-11(5-3-10)14(19)17-15(20)16-12-6-8-13(18)9-7-12/h2-9,18H,1H3,(H2,16,17,19,20).
What are the key properties of N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide?
N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide has a molecular weight of 286.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide is sourced from PubChem (CID 909226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).