N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide

C20H18N2O3S — CID 2229345

IUPACN-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(=S)Nc1cccc2cc(O)ccc12
InChIInChI=1S/C20H18N2O3S/c1-13-5-2-3-8-18(13)25-12-19(24)22-20(26)21-17-7-4-6-14-11-15(23)9-10-16(14)17/h2-11,23H,12H2,1H3,(H2,21,22,24,26)
InChIKeyPCYJCBPBECCVFS-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.75
Rot. Bonds4

About N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide

N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide (PubChem CID 2229345) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide
PubChem CID2229345
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(=S)Nc1cccc2cc(O)ccc12
InChIInChI=1S/C20H18N2O3S/c1-13-5-2-3-8-18(13)25-12-19(24)22-20(26)21-17-7-4-6-14-11-15(23)9-10-16(14)17/h2-11,23H,12H2,1H3,(H2,21,22,24,26)
InChIKeyPCYJCBPBECCVFS-UHFFFAOYSA-N
XLogP3.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 5207867
N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 833807
2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4990404
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17100301
N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3389667
2-(2-methoxyphenoxy)-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4506420
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17104860
2-(2,4-dibromo-6-methylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 3357985
N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513457
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
N-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513307

Frequently Asked Questions

What is the IUPAC name of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide (CID 2229345) is N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NC(=S)Nc1cccc2cc(O)ccc12.
What is the InChIKey of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is PCYJCBPBECCVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-5-2-3-8-18(13)25-12-19(24)22-20(26)21-17-7-4-6-14-11-15(23)9-10-16(14)17/h2-11,23H,12H2,1H3,(H2,21,22,24,26).
What are the key properties of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 366.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 2229345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).