N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C23H19ClN4OS — CID 17288792

IUPACN-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)n(-c2ccccc2)n1)NCc1cccc(Cl)c1
InChIInChI=1S/C23H19ClN4OS/c24-19-11-7-8-17(14-19)15-25-21(29)16-30-23-26-22(18-9-3-1-4-10-18)28(27-23)20-12-5-2-6-13-20/h1-14H,15-16H2,(H,25,29)
InChIKeyYFRAPWPCEWHICP-UHFFFAOYSA-N
MW434.95 g/mol
LogP5.00
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 17288792) has the molecular formula C23H19ClN4OS and a molecular weight of 434.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID17288792
Molecular FormulaC23H19ClN4OS
Molecular Weight434.95 g/mol
Exact Mass434.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)n(-c2ccccc2)n1)NCc1cccc(Cl)c1
InChIInChI=1S/C23H19ClN4OS/c24-19-11-7-8-17(14-19)15-25-21(29)16-30-23-26-22(18-9-3-1-4-10-18)28(27-23)20-12-5-2-6-13-20/h1-14H,15-16H2,(H,25,29)
InChIKeyYFRAPWPCEWHICP-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 78763056
N-[(3-chlorophenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895376
N-tert-butyl-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288734
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 17288834
N-(2,5-difluorophenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288806
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 17288710
N-[(3-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9427471
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 112785464
N-(3-chloro-4-methoxyphenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17077496
N-[(3-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2497131
2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 112785542
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17288801

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 17288792) is N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)n(-c2ccccc2)n1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is YFRAPWPCEWHICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4OS/c24-19-11-7-8-17(14-19)15-25-21(29)16-30-23-26-22(18-9-3-1-4-10-18)28(27-23)20-12-5-2-6-13-20/h1-14H,15-16H2,(H,25,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 434.95 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 17288792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).