N-phenylmethoxy-2-phenylsulfanylacetamide

C15H15NO2S — CID 47095881

IUPACN-phenylmethoxy-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C15H15NO2S/c17-15(12-19-14-9-5-2-6-10-14)16-18-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
InChIKeyKXWDEZQGCMYAOY-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.03
Rot. Bonds6

About N-phenylmethoxy-2-phenylsulfanylacetamide

N-phenylmethoxy-2-phenylsulfanylacetamide (PubChem CID 47095881) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-phenylmethoxy-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-phenylmethoxy-2-phenylsulfanylacetamide
PubChem CID47095881
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-phenylmethoxy-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C15H15NO2S/c17-15(12-19-14-9-5-2-6-10-14)16-18-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
InChIKeyKXWDEZQGCMYAOY-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide
CID 60627025
2-phenylsulfanylacetohydrazide
CID 7037418
3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide
CID 10522748
2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide
CID 32577082
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
CID 32577583
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylmethoxyacetamide
CID 32578079
4-amino-N-phenylmethoxypentanamide
CID 64974762
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide
CID 32581346

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2-phenylsulfanylacetamide?
The IUPAC name of N-phenylmethoxy-2-phenylsulfanylacetamide (CID 47095881) is N-phenylmethoxy-2-phenylsulfanylacetamide.
What is the SMILES notation for N-phenylmethoxy-2-phenylsulfanylacetamide?
The canonical SMILES for N-phenylmethoxy-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxy-2-phenylsulfanylacetamide?
The InChIKey is KXWDEZQGCMYAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-15(12-19-14-9-5-2-6-10-14)16-18-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17).
What are the key properties of N-phenylmethoxy-2-phenylsulfanylacetamide?
N-phenylmethoxy-2-phenylsulfanylacetamide has a molecular weight of 273.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2-phenylsulfanylacetamide is sourced from PubChem (CID 47095881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).