2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide

C18H20N2O2S2 — CID 3846478

IUPAC2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCCSCC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H20N2O2S2/c21-17(19-15-7-3-1-4-8-15)13-23-11-12-24-14-18(22)20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKeySEQDGQDHIZDWHK-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.73
Rot. Bonds9

About 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide

2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide (PubChem CID 3846478) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide
PubChem CID3846478
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCCSCC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H20N2O2S2/c21-17(19-15-7-3-1-4-8-15)13-23-11-12-24-14-18(22)20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKeySEQDGQDHIZDWHK-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide (CID 3846478) is 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide is O=C(CSCCSCC(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide?
The InChIKey is SEQDGQDHIZDWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c21-17(19-15-7-3-1-4-8-15)13-23-11-12-24-14-18(22)20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide?
2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide has a molecular weight of 360.50 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-anilino-2-oxoethyl)sulfanylethylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 3846478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).