N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide

C20H18N2O2S — CID 135073901

IUPACN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide
SMILESCS(=O)(=NC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C20H18N2O2S/c1-25(24,18-14-8-9-15-21-18)22-20(23)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,19H,1H3
InChIKeyNBRJTFTZZPIPDD-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.90
Rot. Bonds4

About N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide

N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide (PubChem CID 135073901) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide
PubChem CID135073901
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide
SMILESCS(=O)(=NC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C20H18N2O2S/c1-25(24,18-14-8-9-15-21-18)22-20(23)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,19H,1H3
InChIKeyNBRJTFTZZPIPDD-UHFFFAOYSA-N
XLogP3.90
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide?
The IUPAC name of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide (CID 135073901) is N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide.
What is the SMILES notation for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide?
The canonical SMILES for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide is CS(=O)(=NC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1.
What is the InChIKey of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide?
The InChIKey is NBRJTFTZZPIPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-25(24,18-14-8-9-15-21-18)22-20(23)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,19H,1H3.
What are the key properties of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide?
N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide has a molecular weight of 350.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2,2-diphenylacetamide is sourced from PubChem (CID 135073901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).