N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide

C17H12Cl2N4O2S — CID 2744120

IUPACN-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(Cl)cc2)[nH]c(=O)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H12Cl2N4O2S/c18-11-6-4-10(5-7-11)15-21-16(25)23-17(22-15)26-9-14(24)20-13-3-1-2-12(19)8-13/h1-8H,9H2,(H,20,24)(H,21,22,23,25)
InChIKeyVYNAMHOZGALHLW-UHFFFAOYSA-N
MW407.28 g/mol
LogP3.87
Rot. Bonds5

About N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide

N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide (PubChem CID 2744120) has the molecular formula C17H12Cl2N4O2S and a molecular weight of 407.28 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide
PubChem CID2744120
Molecular FormulaC17H12Cl2N4O2S
Molecular Weight407.28 g/mol
Exact Mass406.01
IUPAC NameN-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(Cl)cc2)[nH]c(=O)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H12Cl2N4O2S/c18-11-6-4-10(5-7-11)15-21-16(25)23-17(22-15)26-9-14(24)20-13-3-1-2-12(19)8-13/h1-8H,9H2,(H,20,24)(H,21,22,23,25)
InChIKeyVYNAMHOZGALHLW-UHFFFAOYSA-N
XLogP3.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide (CID 2744120) is N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide is O=C(CSc1nc(-c2ccc(Cl)cc2)[nH]c(=O)n1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide?
The InChIKey is VYNAMHOZGALHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O2S/c18-11-6-4-10(5-7-11)15-21-16(25)23-17(22-15)26-9-14(24)20-13-3-1-2-12(19)8-13/h1-8H,9H2,(H,20,24)(H,21,22,23,25).
What are the key properties of N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide has a molecular weight of 407.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 2744120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).