N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide

C15H14N2O2S — CID 107671447

IUPACN-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H14N2O2S/c1-9-8-12(18)6-7-13(9)15(19)17-11-4-2-10(3-5-11)14(16)20/h2-8,18H,1H3,(H2,16,20)(H,17,19)
InChIKeyBEURQXCEFYOTSE-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.59
Rot. Bonds3

About N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide

N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide (PubChem CID 107671447) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
PubChem CID107671447
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H14N2O2S/c1-9-8-12(18)6-7-13(9)15(19)17-11-4-2-10(3-5-11)14(16)20/h2-8,18H,1H3,(H2,16,20)(H,17,19)
InChIKeyBEURQXCEFYOTSE-UHFFFAOYSA-N
XLogP2.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
N-(4-carbamothioylphenyl)-4-fluoro-2-hydroxybenzamide
CID 107014847
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
CID 103865733
4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
CID 107672423
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676026
N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
CID 107671452
N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731512
4-hydroxy-2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 107671338

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide (CID 107671447) is N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is BEURQXCEFYOTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-8-12(18)6-7-13(9)15(19)17-11-4-2-10(3-5-11)14(16)20/h2-8,18H,1H3,(H2,16,20)(H,17,19).
What are the key properties of N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide?
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 286.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107671447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).