N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide

C17H18N2O2S — CID 881429

IUPACN-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESCCOc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-21-15-10-8-14(9-11-15)18-17(22)19-16(20)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,18,19,20,22)
InChIKeyWIOYYQZSCZZKAI-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.14
Rot. Bonds5

About N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide

N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 881429) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide
PubChem CID881429
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESCCOc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-21-15-10-8-14(9-11-15)18-17(22)19-16(20)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,18,19,20,22)
InChIKeyWIOYYQZSCZZKAI-UHFFFAOYSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide (CID 881429) is N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide is CCOc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is WIOYYQZSCZZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-21-15-10-8-14(9-11-15)18-17(22)19-16(20)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,18,19,20,22).
What are the key properties of N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide?
N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 314.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 881429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).