2-methoxysulfanyl-N-phenylacetamide

C9H11NO2S — CID 67646949

IUPAC2-methoxysulfanyl-N-phenylacetamide
SMILESCOSCC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO2S/c1-12-13-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyAUEUVFQCCPYFPL-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.92
Rot. Bonds4

About 2-methoxysulfanyl-N-phenylacetamide

2-methoxysulfanyl-N-phenylacetamide (PubChem CID 67646949) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-methoxysulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-methoxysulfanyl-N-phenylacetamide
PubChem CID67646949
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-methoxysulfanyl-N-phenylacetamide
SMILESCOSCC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO2S/c1-12-13-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyAUEUVFQCCPYFPL-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-(2-anilino-2-oxoethyl) ethanethioate
CID 54462547
methyl (2S)-2-(2-anilino-2-oxoethyl)sulfanylpropanoate
CID 124506827
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
ethane;2-methoxy-N-phenylacetamide;yttrium
CID 159976159
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
3-oxo-N-phenylbutanamide
CID 161275903
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7574872
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921

Frequently Asked Questions

What is the IUPAC name of 2-methoxysulfanyl-N-phenylacetamide?
The IUPAC name of 2-methoxysulfanyl-N-phenylacetamide (CID 67646949) is 2-methoxysulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-methoxysulfanyl-N-phenylacetamide?
The canonical SMILES for 2-methoxysulfanyl-N-phenylacetamide is COSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-methoxysulfanyl-N-phenylacetamide?
The InChIKey is AUEUVFQCCPYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-13-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11).
What are the key properties of 2-methoxysulfanyl-N-phenylacetamide?
2-methoxysulfanyl-N-phenylacetamide has a molecular weight of 197.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxysulfanyl-N-phenylacetamide is sourced from PubChem (CID 67646949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).