2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide

C17H17ClN2O2S — CID 889519

IUPAC2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
SMILESCCOc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-2-22-15-6-4-3-5-14(15)19-17(23)20-16(21)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H2,19,20,21,23)
InChIKeyDSEWLKFBYFELDS-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.79
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide

2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide (PubChem CID 889519) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
PubChem CID889519
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
SMILESCCOc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-2-22-15-6-4-3-5-14(15)19-17(23)20-16(21)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H2,19,20,21,23)
InChIKeyDSEWLKFBYFELDS-UHFFFAOYSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.79
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-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 817114
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 1226903
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide
CID 17098382
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
CID 108946779
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
CID 17131022
2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide
CID 17098246
2-[2-(4-chlorophenyl)ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 109002864
N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188354
2-(4-chlorophenyl)-N-[(2-nitrophenyl)carbamothioyl]acetamide
CID 2893881
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 21212223
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 2092525

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide (CID 889519) is 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide is CCOc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide?
The InChIKey is DSEWLKFBYFELDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-2-22-15-6-4-3-5-14(15)19-17(23)20-16(21)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H2,19,20,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide?
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide has a molecular weight of 348.86 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 889519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).