N-[2-(disulfanyl)phenyl]acetamide

C8H9NOS2 — CID 19597153

IUPACN-[2-(disulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1SS
InChIInChI=1S/C8H9NOS2/c1-6(10)9-7-4-2-3-5-8(7)12-11/h2-5,11H,1H3,(H,9,10)
InChIKeyLGYBEFQEMXOAOB-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.58
Rot. Bonds2

About N-[2-(disulfanyl)phenyl]acetamide

N-[2-(disulfanyl)phenyl]acetamide (PubChem CID 19597153) has the molecular formula C8H9NOS2 and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[2-(disulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(disulfanyl)phenyl]acetamide
PubChem CID19597153
Molecular FormulaC8H9NOS2
Molecular Weight199.30 g/mol
Exact Mass199.01
IUPAC NameN-[2-(disulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1SS
InChIInChI=1S/C8H9NOS2/c1-6(10)9-7-4-2-3-5-8(7)12-11/h2-5,11H,1H3,(H,9,10)
InChIKeyLGYBEFQEMXOAOB-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)sulfanylphenyl]acetamide
CID 58015270
N-[2-(methylamino)phenyl]acetamide
CID 22950987
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide
CID 175230643
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
(2-acetamidophenyl) hypochlorite
CID 150463309
N-(2-acetamidophenyl)propanamide
CID 885895
2-acetamidobenzoyl chloride
CID 12520814
CID 170843062
CID 170843062
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353

Frequently Asked Questions

What is the IUPAC name of N-[2-(disulfanyl)phenyl]acetamide?
The IUPAC name of N-[2-(disulfanyl)phenyl]acetamide (CID 19597153) is N-[2-(disulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(disulfanyl)phenyl]acetamide?
The canonical SMILES for N-[2-(disulfanyl)phenyl]acetamide is CC(=O)Nc1ccccc1SS.
What is the InChIKey of N-[2-(disulfanyl)phenyl]acetamide?
The InChIKey is LGYBEFQEMXOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS2/c1-6(10)9-7-4-2-3-5-8(7)12-11/h2-5,11H,1H3,(H,9,10).
What are the key properties of N-[2-(disulfanyl)phenyl]acetamide?
N-[2-(disulfanyl)phenyl]acetamide has a molecular weight of 199.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(disulfanyl)phenyl]acetamide is sourced from PubChem (CID 19597153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).