N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide

C10H13NOS2 — CID 117033736

IUPACN-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCCS)cc1
InChIInChI=1S/C10H13NOS2/c1-8(12)11-9-2-4-10(5-3-9)14-7-6-13/h2-5,13H,6-7H2,1H3,(H,11,12)
InChIKeyUUCCXGRYVGVZPP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.67
Rot. Bonds4

About N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide

N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide (PubChem CID 117033736) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
PubChem CID117033736
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC NameN-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCCS)cc1
InChIInChI=1S/C10H13NOS2/c1-8(12)11-9-2-4-10(5-3-9)14-7-6-13/h2-5,13H,6-7H2,1H3,(H,11,12)
InChIKeyUUCCXGRYVGVZPP-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
CID 117032830
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide
CID 8819472
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 63934636
sulfuric acid;N-[4-[3-(2,4,6-triaminopyrimidin-5-yl)propylsulfanyl]phenyl]acetamide
CID 54600381

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide (CID 117033736) is N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide is CC(=O)Nc1ccc(SCCS)cc1.
What is the InChIKey of N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide?
The InChIKey is UUCCXGRYVGVZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-8(12)11-9-2-4-10(5-3-9)14-7-6-13/h2-5,13H,6-7H2,1H3,(H,11,12).
What are the key properties of N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide?
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 117033736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).