N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide

C16H16N2O2S2 — CID 169439235

IUPACN-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccccc1SSc1ccccc1C(=O)NC([2H])([2H])[2H]
InChIInChI=1S/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)/i1D3,2D3
InChIKeyJEVCLNJEBFWVPD-WFGJKAKNSA-N
MW338.49 g/mol
LogP3.21
Rot. Bonds7

About N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide

N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide (PubChem CID 169439235) has the molecular formula C16H16N2O2S2 and a molecular weight of 338.49 g/mol. Its IUPAC name is N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide.

Molecular Properties

Compound NameN-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide
PubChem CID169439235
Molecular FormulaC16H16N2O2S2
Molecular Weight338.49 g/mol
Exact Mass338.10
IUPAC NameN-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccccc1SSc1ccccc1C(=O)NC([2H])([2H])[2H]
InChIInChI=1S/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)/i1D3,2D3
InChIKeyJEVCLNJEBFWVPD-WFGJKAKNSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.21
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

2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
CID 126714262
N-methyl-2-[[2-(sulfanylcarbamoyl)phenyl]disulfanyl]benzamide
CID 143785887
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
magnesium 2-[(2-carboxylatophenyl)disulfanyl]benzoate
CID 18948173
2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]-N-(trideuterio(113C)methyl)benzamide
CID 131871370
N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
N-(4-butoxyphenyl)-2-[[2-[(4-butoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 15165551
2-phenyl-2-[[2-(phenyldisulfanyl)benzoyl]amino]acetic acid
CID 140977661
N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 6483556
methyl (2S)-2-[[2-[[2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]-4-methylsulfanylbutanoate
CID 10864915
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733

Frequently Asked Questions

What is the IUPAC name of N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide?
The IUPAC name of N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide (CID 169439235) is N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide.
What is the SMILES notation for N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide?
The canonical SMILES for N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide is [2H]C([2H])([2H])NC(=O)c1ccccc1SSc1ccccc1C(=O)NC([2H])([2H])[2H].
What is the InChIKey of N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide?
The InChIKey is JEVCLNJEBFWVPD-WFGJKAKNSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)/i1D3,2D3.
What are the key properties of N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide?
N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide has a molecular weight of 338.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trideuteriomethyl)-2-[[2-(trideuteriomethylcarbamoyl)phenyl]disulfanyl]benzamide is sourced from PubChem (CID 169439235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).