N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide

C21H19NO2S — CID 162418409

IUPACN-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide
SMILESO=C(N=S(=O)(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO2S/c23-21(20-14-8-3-9-15-20)22-25(24,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyOJJVQAHAXWCMGI-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.70
Rot. Bonds5

About N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide

N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide (PubChem CID 162418409) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide.

Molecular Properties

Compound NameN-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide
PubChem CID162418409
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide
SMILESO=C(N=S(=O)(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO2S/c23-21(20-14-8-3-9-15-20)22-25(24,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyOJJVQAHAXWCMGI-UHFFFAOYSA-N
XLogP4.70
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide
CID 167050073
CID 131851272
CID 131851272
4-(benzylsulfonylmethyl)benzoic acid
CID 43444416
alumane;phenylmethanesulfonic acid
CID 174435213
phenylmethanesulfonic acid;phosphane
CID 173374603
N-oxo-1-phenylmethanesulfonamide
CID 87885271
2-benzylsulfonylbenzoic acid
CID 561426
benzoyl bromide
CID 12056
(benzylsulfonylamino)urea
CID 21225494
sodium (4-benzoylphenyl)methanesulfonate
CID 23668166
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
[benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane
CID 71365946

Frequently Asked Questions

What is the IUPAC name of N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide?
The IUPAC name of N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide (CID 162418409) is N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide.
What is the SMILES notation for N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide?
The canonical SMILES for N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide is O=C(N=S(=O)(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide?
The InChIKey is OJJVQAHAXWCMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c23-21(20-14-8-3-9-15-20)22-25(24,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2.
What are the key properties of N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide?
N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide has a molecular weight of 349.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide is sourced from PubChem (CID 162418409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).