N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide

C16H15FN2O2S — CID 833807

IUPACN-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C16H15FN2O2S/c1-11-6-2-5-9-14(11)21-10-15(20)19-16(22)18-13-8-4-3-7-12(13)17/h2-9H,10H2,1H3,(H2,18,19,20,22)
InChIKeyYSMMEBPXFKEKIV-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.03
Rot. Bonds4

About N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide

N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide (PubChem CID 833807) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
PubChem CID833807
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C16H15FN2O2S/c1-11-6-2-5-9-14(11)21-10-15(20)19-16(22)18-13-8-4-3-7-12(13)17/h2-9H,10H2,1H3,(H2,18,19,20,22)
InChIKeyYSMMEBPXFKEKIV-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17104860
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17100301
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 2229345
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
2-(2-methoxyphenoxy)-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4506420
ethyl 4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 4635289
2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide
CID 9185026
2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 5207867
2-chloro-5-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 4507057
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide (CID 833807) is N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is YSMMEBPXFKEKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-11-6-2-5-9-14(11)21-10-15(20)19-16(22)18-13-8-4-3-7-12(13)17/h2-9H,10H2,1H3,(H2,18,19,20,22).
What are the key properties of N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 318.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 833807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).