N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide

C18H14Cl2N4O2S — CID 135502847

IUPACN-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide
SMILESCc1nnc(SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H14Cl2N4O2S/c1-10-16(25)22-18(24-23-10)27-15(11-5-3-2-4-6-11)17(26)21-14-8-12(19)7-13(20)9-14/h2-9,15H,1H3,(H,21,26)(H,22,24,25)
InChIKeyGJMCBTQQYCJYRZ-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.25
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide

N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide (PubChem CID 135502847) has the molecular formula C18H14Cl2N4O2S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide
PubChem CID135502847
Molecular FormulaC18H14Cl2N4O2S
Molecular Weight421.31 g/mol
Exact Mass420.02
IUPAC NameN-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide
SMILESCc1nnc(SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H14Cl2N4O2S/c1-10-16(25)22-18(24-23-10)27-15(11-5-3-2-4-6-11)17(26)21-14-8-12(19)7-13(20)9-14/h2-9,15H,1H3,(H,21,26)(H,22,24,25)
InChIKeyGJMCBTQQYCJYRZ-UHFFFAOYSA-N
XLogP4.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylpropanamide
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(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)-2-phenylacetamide
CID 41184018
(2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide
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N-(3,5-dichlorophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 46675031
N-(3-bromophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 136687558
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2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 135441944
N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904619
N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60564122
N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908363
N-(3,5-dichlorophenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide (CID 135502847) is N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide is Cc1nnc(SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide?
The InChIKey is GJMCBTQQYCJYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2S/c1-10-16(25)22-18(24-23-10)27-15(11-5-3-2-4-6-11)17(26)21-14-8-12(19)7-13(20)9-14/h2-9,15H,1H3,(H,21,26)(H,22,24,25).
What are the key properties of N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide?
N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 421.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 135502847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).