2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide

C17H17ClN2O2S — CID 3326115

IUPAC2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide
SMILESCCN(C(=S)NC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2S/c1-2-20(13-8-4-3-5-9-13)17(23)19-16(21)12-22-15-11-7-6-10-14(15)18/h3-11H,2,12H2,1H3,(H,19,21,23)
InChIKeyBJGFNSVYCWKUCG-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.65
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide

2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide (PubChem CID 3326115) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide
PubChem CID3326115
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide
SMILESCCN(C(=S)NC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2S/c1-2-20(13-8-4-3-5-9-13)17(23)19-16(21)12-22-15-11-7-6-10-14(15)18/h3-11H,2,12H2,1H3,(H,19,21,23)
InChIKeyBJGFNSVYCWKUCG-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide
CID 3320156
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922767
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506696
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide
CID 920664
N-(azepane-1-carbothioyl)-2-(2-chlorophenoxy)acetamide
CID 920702
2-(2,4-dichlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]propanamide
CID 3323443
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
2-(2-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3378134
methyl 4-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]benzoate
CID 5254098
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide (CID 3326115) is 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide is CCN(C(=S)NC(=O)COc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide?
The InChIKey is BJGFNSVYCWKUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-2-20(13-8-4-3-5-9-13)17(23)19-16(21)12-22-15-11-7-6-10-14(15)18/h3-11H,2,12H2,1H3,(H,19,21,23).
What are the key properties of 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide?
2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide has a molecular weight of 348.86 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide is sourced from PubChem (CID 3326115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).