2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide

C16H15ClN2O2S — CID 884329

IUPAC2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O2S/c1-10-2-7-14(20)13(8-10)18-16(22)19-15(21)9-11-3-5-12(17)6-4-11/h2-8,20H,9H2,1H3,(H2,18,19,21,22)
InChIKeyBGSXHNNWYPKQIQ-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.41
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide

2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide (PubChem CID 884329) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
PubChem CID884329
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O2S/c1-10-2-7-14(20)13(8-10)18-16(22)19-15(21)9-11-3-5-12(17)6-4-11/h2-8,20H,9H2,1H3,(H2,18,19,21,22)
InChIKeyBGSXHNNWYPKQIQ-UHFFFAOYSA-N
XLogP3.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.41
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

2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 817114
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 5228979
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-phenylpropanamide
CID 916916
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544
3-(2,4-dichlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]prop-2-enamide
CID 1344675
2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
CID 4939207
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099861
4-(2-amino-2-sulfanylideneethyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 82179504
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
4-chloro-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 875189

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide (CID 884329) is 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide is Cc1ccc(O)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide?
The InChIKey is BGSXHNNWYPKQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-10-2-7-14(20)13(8-10)18-16(22)19-15(21)9-11-3-5-12(17)6-4-11/h2-8,20H,9H2,1H3,(H2,18,19,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide?
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide has a molecular weight of 334.83 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 884329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).