N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C16H13ClN4OS2 — CID 2366062

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4OS2/c17-11-5-7-12(8-6-11)24-14-4-2-1-3-13(14)20-15(22)9-23-16-18-10-19-21-16/h1-8,10H,9H2,(H,20,22)(H,18,19,21)
InChIKeyNNJZGUNGTBOGKG-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.34
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2366062) has the molecular formula C16H13ClN4OS2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2366062
Molecular FormulaC16H13ClN4OS2
Molecular Weight376.89 g/mol
Exact Mass376.02
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4OS2/c17-11-5-7-12(8-6-11)24-14-4-2-1-3-13(14)20-15(22)9-23-16-18-10-19-21-16/h1-8,10H,9H2,(H,20,22)(H,18,19,21)
InChIKeyNNJZGUNGTBOGKG-UHFFFAOYSA-N
XLogP4.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 2339452
N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343419
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2343526
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4272280
1-Phenothiazin-10-yl-2-(4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 736364
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 3296635
2-((4-Amino-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide
CID 3814267
10-((4H-1,2,4-Triazol-3-ylthio)acetyl)-10H-phenothiazine hydrochloride
CID 45054227
N-(4-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712238
1-(2-chloro-10H-phenothiazin-10-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1160651
N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 1505739
N-(4-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide
CID 2946676

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2366062) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is NNJZGUNGTBOGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS2/c17-11-5-7-12(8-6-11)24-14-4-2-1-3-13(14)20-15(22)9-23-16-18-10-19-21-16/h1-8,10H,9H2,(H,20,22)(H,18,19,21).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 376.89 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2366062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).