N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide

C16H16N2O2S — CID 884131

IUPACN-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide
SMILESCc1ccc(NC(=S)NC(=O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C16H16N2O2S/c1-11-7-8-13(14(19)9-11)17-16(21)18-15(20)10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H2,17,18,20,21)
InChIKeyYQHNLAMQOBRQMD-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.76
Rot. Bonds3

About N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide

N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 884131) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide
PubChem CID884131
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide
SMILESCc1ccc(NC(=S)NC(=O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C16H16N2O2S/c1-11-7-8-13(14(19)9-11)17-16(21)18-15(20)10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H2,17,18,20,21)
InChIKeyYQHNLAMQOBRQMD-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Benzoyl-3-(2-hydroxy-phenyl)-urea
CID 1092635
(E)-3-(4-fluorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 773768
(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786686
N-{[(2-hydroxy-3,5-dimethylphenyl)amino]carbonothioyl}-2-phenylacetamide
CID 798461
4-tert-butyl-N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 5064069
Benzeneacetamide, N-(2-hydroxyphenyl)-
CID 835599
Urea, 1-benzoyl-3-(o-hydroxyphenyl)-2-thio-
CID 872065
N-(((4-Hydroxyphenyl)amino)thioxomethyl)benzamide
CID 882379
N-{[(2-hydroxy-5-isopropylphenyl)amino]carbonothioyl}-3-phenylpropanamide
CID 973818
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-methylbutanamide
CID 1789996
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamide
CID 884329
(E)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 884878

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide (CID 884131) is N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide is Cc1ccc(NC(=S)NC(=O)Cc2ccccc2)c(O)c1.
What is the InChIKey of N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is YQHNLAMQOBRQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-7-8-13(14(19)9-11)17-16(21)18-15(20)10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H2,17,18,20,21).
What are the key properties of N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide?
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 300.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 884131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).