N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide

C20H18N2O2S — CID 5228979

IUPACN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H18N2O2S/c1-13-9-10-18(23)17(11-13)21-20(25)22-19(24)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11,23H,12H2,1H3,(H2,21,22,24,25)
InChIKeyXRZHIQVOZXHHLV-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.91
Rot. Bonds3

About N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide

N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide (PubChem CID 5228979) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
PubChem CID5228979
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H18N2O2S/c1-13-9-10-18(23)17(11-13)21-20(25)22-19(24)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11,23H,12H2,1H3,(H2,21,22,24,25)
InChIKeyXRZHIQVOZXHHLV-UHFFFAOYSA-N
XLogP3.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.91
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

N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 54784453
N-[(2,3-dimethylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 4778596
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 884329
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-phenylpropanamide
CID 916916
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1345142
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17188042
N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17205199
N-[3-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]butanamide
CID 17187698
N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 689528
N-[(3-methylsulfanylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 1302090
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 885104
N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565253

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide (CID 5228979) is N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide is Cc1ccc(O)c(NC(=S)NC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide?
The InChIKey is XRZHIQVOZXHHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-13-9-10-18(23)17(11-13)21-20(25)22-19(24)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11,23H,12H2,1H3,(H2,21,22,24,25).
What are the key properties of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide?
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide has a molecular weight of 350.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 5228979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).