N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide

C16H14F2N2O2S — CID 876437

IUPACN-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F2N2O2S/c17-15(18)22-13-8-6-12(7-9-13)19-16(23)20-14(21)10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,19,20,21,23)
InChIKeyIAADVXKWFITRSN-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.34
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide

N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide (PubChem CID 876437) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide
PubChem CID876437
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC NameN-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F2N2O2S/c17-15(18)22-13-8-6-12(7-9-13)19-16(23)20-14(21)10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,19,20,21,23)
InChIKeyIAADVXKWFITRSN-UHFFFAOYSA-N
XLogP3.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.34
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-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide (CID 876437) is N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(=S)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide?
The InChIKey is IAADVXKWFITRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c17-15(18)22-13-8-6-12(7-9-13)19-16(23)20-14(21)10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,19,20,21,23).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide?
N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide has a molecular weight of 336.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 876437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).