N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide

C18H15ClN4O2S — CID 135669314

IUPACN-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide
SMILESCc1nnc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)[nH]c1=O
InChIInChI=1S/C18H15ClN4O2S/c1-11-16(24)21-18(23-22-11)26-10-12-2-4-13(5-3-12)17(25)20-15-8-6-14(19)7-9-15/h2-9H,10H2,1H3,(H,20,25)(H,21,23,24)
InChIKeyDFYOPKBYGSEOJH-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.67
Rot. Bonds5

About N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide

N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide (PubChem CID 135669314) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide
PubChem CID135669314
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC NameN-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide
SMILESCc1nnc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)[nH]c1=O
InChIInChI=1S/C18H15ClN4O2S/c1-11-16(24)21-18(23-22-11)26-10-12-2-4-13(5-3-12)17(25)20-15-8-6-14(19)7-9-15/h2-9H,10H2,1H3,(H,20,25)(H,21,23,24)
InChIKeyDFYOPKBYGSEOJH-UHFFFAOYSA-N
XLogP3.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide with MolForge

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Related Compounds

4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 135669319
N-[4-amino-2-[(4-methylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-chlorobenzamide
CID 135700937
N-(4-acetylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135437935
3-(2-benzylsulfanyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-chlorophenyl)propanamide
CID 135689194
(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552583
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
CID 3097680
N-(4-chlorophenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136616571
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 135441944
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377540
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135427780
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553938

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide (CID 135669314) is N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide is Cc1nnc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)[nH]c1=O.
What is the InChIKey of N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide?
The InChIKey is DFYOPKBYGSEOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c1-11-16(24)21-18(23-22-11)26-10-12-2-4-13(5-3-12)17(25)20-15-8-6-14(19)7-9-15/h2-9H,10H2,1H3,(H,20,25)(H,21,23,24).
What are the key properties of N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide?
N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide has a molecular weight of 386.86 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 135669314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).