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

C16H16N2O2S — CID 884904

IUPACN-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESCOc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-9-7-13(8-10-14)17-16(21)18-15(19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18,19,21)
InChIKeyCPXQNKKITWMCDP-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.75
Rot. Bonds4

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

N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 884904) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide
PubChem CID884904
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESCOc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-9-7-13(8-10-14)17-16(21)18-15(19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18,19,21)
InChIKeyCPXQNKKITWMCDP-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.75
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-methoxyphenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide (CID 884904) is N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide is COc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is CPXQNKKITWMCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-14-9-7-13(8-10-14)17-16(21)18-15(19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18,19,21).
What are the key properties of N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide?
N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 300.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 884904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).