3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide

C18H20N2O2S2 — CID 57371082

IUPAC3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide
SMILESCCC(=O)Nc1ccccc1SSc1c(CC)cccc1C(N)=O
InChIInChI=1S/C18H20N2O2S2/c1-3-12-8-7-9-13(18(19)22)17(12)24-23-15-11-6-5-10-14(15)20-16(21)4-2/h5-11H,3-4H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyWMQMAFUTRWVAQC-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.50
Rot. Bonds7

About 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide

3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide (PubChem CID 57371082) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide.

Molecular Properties

Compound Name3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide
PubChem CID57371082
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide
SMILESCCC(=O)Nc1ccccc1SSc1c(CC)cccc1C(N)=O
InChIInChI=1S/C18H20N2O2S2/c1-3-12-8-7-9-13(18(19)22)17(12)24-23-15-11-6-5-10-14(15)20-16(21)4-2/h5-11H,3-4H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyWMQMAFUTRWVAQC-UHFFFAOYSA-N
XLogP4.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-3-(2-ethylanilino)benzamide
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N-(2,3-diethylphenyl)propanamide
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2-[(2-ethylsulfanylbenzoyl)amino]benzamide
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2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
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N-(2-ethylphenyl)-2-methylsulfanylbenzamide
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2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
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ethyl 2-(propanoylamino)benzoate
CID 4190428

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide?
The IUPAC name of 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide (CID 57371082) is 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide.
What is the SMILES notation for 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide?
The canonical SMILES for 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide is CCC(=O)Nc1ccccc1SSc1c(CC)cccc1C(N)=O.
What is the InChIKey of 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide?
The InChIKey is WMQMAFUTRWVAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-3-12-8-7-9-13(18(19)22)17(12)24-23-15-11-6-5-10-14(15)20-16(21)4-2/h5-11H,3-4H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide?
3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide has a molecular weight of 360.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide is sourced from PubChem (CID 57371082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).