N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide

C15H14N2O2S3 — CID 143785887

IUPACN-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide
SMILESCNC(=O)c1ccccc1SSc1ccccc1C(=O)NS
InChIInChI=1S/C15H14N2O2S3/c1-16-14(18)10-6-2-4-8-12(10)21-22-13-9-5-3-7-11(13)15(19)17-20/h2-9,20H,1H3,(H,16,18)(H,17,19)
InChIKeyUGWPNKBNYXWODT-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.42
Rot. Bonds5

About N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide

N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide (PubChem CID 143785887) has the molecular formula C15H14N2O2S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide
PubChem CID143785887
Molecular FormulaC15H14N2O2S3
Molecular Weight350.49 g/mol
Exact Mass350.02
IUPAC NameN-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide
SMILESCNC(=O)c1ccccc1SSc1ccccc1C(=O)NS
InChIInChI=1S/C15H14N2O2S3/c1-16-14(18)10-6-2-4-8-12(10)21-22-13-9-5-3-7-11(13)15(19)17-20/h2-9,20H,1H3,(H,16,18)(H,17,19)
InChIKeyUGWPNKBNYXWODT-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
CID 126714262
N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide
CID 169439235
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate
CID 10638032
N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate
CID 6928280
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
2-methoxy-N-methyl-3-methylsulfanylbenzamide
CID 69493076
magnesium 2-[(2-carboxylatophenyl)disulfanyl]benzoate
CID 18948173
2-[bis(trimethylsilyl)methyl]-N-methylbenzamide
CID 10637506
N-methyl-9,10-dioxoanthracene-1-carboxamide
CID 71365214

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide?
The IUPAC name of N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide (CID 143785887) is N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide.
What is the SMILES notation for N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide?
The canonical SMILES for N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide is CNC(=O)c1ccccc1SSc1ccccc1C(=O)NS.
What is the InChIKey of N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide?
The InChIKey is UGWPNKBNYXWODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S3/c1-16-14(18)10-6-2-4-8-12(10)21-22-13-9-5-3-7-11(13)15(19)17-20/h2-9,20H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide?
N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide has a molecular weight of 350.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide is sourced from PubChem (CID 143785887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).