2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide

C19H15ClN2O2S — CID 1016441

IUPAC2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide
SMILESO=C(COc1ccccc1Cl)NC(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15ClN2O2S/c20-16-7-3-4-8-17(16)24-12-18(23)22-19(25)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,21,22,23,25)
InChIKeyFPXJGBTXJNNJJN-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.39
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide

2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide (PubChem CID 1016441) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide
PubChem CID1016441
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide
SMILESO=C(COc1ccccc1Cl)NC(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15ClN2O2S/c20-16-7-3-4-8-17(16)24-12-18(23)22-19(25)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,21,22,23,25)
InChIKeyFPXJGBTXJNNJJN-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.39
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

2-(2-chlorophenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide
CID 5259058
2-(2-chlorophenoxy)-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 1324558
methyl 4-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]benzoate
CID 5254098
2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4990404
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]phenyl]benzamide
CID 5153630
2-(2-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3378134
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
CID 4630939
2-chloro-5-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 4507057
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506696
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-naphthalen-1-yloxy-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 3394643

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide (CID 1016441) is 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide is O=C(COc1ccccc1Cl)NC(=S)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide?
The InChIKey is FPXJGBTXJNNJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-16-7-3-4-8-17(16)24-12-18(23)22-19(25)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,21,22,23,25).
What are the key properties of 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide?
2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide has a molecular weight of 370.86 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide is sourced from PubChem (CID 1016441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).