N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide

C20H15Cl2N3O2S — CID 3080497

IUPACN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncccn1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C20H15Cl2N3O2S/c1-25(18(26)12-28-20-23-9-4-10-24-20)17-8-7-13(21)11-15(17)19(27)14-5-2-3-6-16(14)22/h2-11H,12H2,1H3
InChIKeyQDRNJVCRNGFJPX-UHFFFAOYSA-N
MW432.33 g/mol
LogP4.77
Rot. Bonds6

About N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 3080497) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID3080497
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncccn1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C20H15Cl2N3O2S/c1-25(18(26)12-28-20-23-9-4-10-24-20)17-8-7-13(21)11-15(17)19(27)14-5-2-3-6-16(14)22/h2-11H,12H2,1H3
InChIKeyQDRNJVCRNGFJPX-UHFFFAOYSA-N
XLogP4.77
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide (CID 3080497) is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide is CN(C(=O)CSc1ncccn1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is QDRNJVCRNGFJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c1-25(18(26)12-28-20-23-9-4-10-24-20)17-8-7-13(21)11-15(17)19(27)14-5-2-3-6-16(14)22/h2-11H,12H2,1H3.
What are the key properties of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 432.33 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 3080497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).