2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide

C15H14N2O2S2 — CID 126714262

IUPAC2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
SMILESCNC(=O)c1ccccc1SSc1ccccc1C(N)=O
InChIInChI=1S/C15H14N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-20-12-8-4-2-6-10(12)14(16)18/h2-9H,1H3,(H2,16,18)(H,17,19)
InChIKeyPCZFVJDKIIXRKF-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.94
Rot. Bonds5

About 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide

2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide (PubChem CID 126714262) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide.

Molecular Properties

Compound Name2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
PubChem CID126714262
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
SMILESCNC(=O)c1ccccc1SSc1ccccc1C(N)=O
InChIInChI=1S/C15H14N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-20-12-8-4-2-6-10(12)14(16)18/h2-9H,1H3,(H2,16,18)(H,17,19)
InChIKeyPCZFVJDKIIXRKF-UHFFFAOYSA-N
XLogP2.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.94
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

N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide
CID 143785887
N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide
CID 169439235
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
2-[[2-[(2-carbamoylphenyl)disulfanyl]benzoyl]amino]hexanedioic acid
CID 140977683
N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
methyl 4-[2-(methylcarbamoyl)phenyl]sulfanylbenzoate
CID 10638032
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
azane;2-hydroxybenzamide;phosphoric acid
CID 174483158
8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate
CID 6928280
CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
ethane;2-fluoro-N-methylbenzamide
CID 178102327

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide?
The IUPAC name of 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide (CID 126714262) is 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide.
What is the SMILES notation for 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide?
The canonical SMILES for 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide is CNC(=O)c1ccccc1SSc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide?
The InChIKey is PCZFVJDKIIXRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-20-12-8-4-2-6-10(12)14(16)18/h2-9H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide?
2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide is sourced from PubChem (CID 126714262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).