N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H12Cl2N4OS — CID 3935379

IUPACN-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N4OS/c17-11-6-12(18)8-13(7-11)20-15(23)9-24-16-21-19-10-22(16)14-4-2-1-3-5-14/h1-8,10H,9H2,(H,20,23)
InChIKeyMZNVSXLTJHAJGB-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.30
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 3935379) has the molecular formula C16H12Cl2N4OS and a molecular weight of 379.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID3935379
Molecular FormulaC16H12Cl2N4OS
Molecular Weight379.27 g/mol
Exact Mass378.01
IUPAC NameN-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N4OS/c17-11-6-12(18)8-13(7-11)20-15(23)9-24-16-21-19-10-22(16)14-4-2-1-3-5-14/h1-8,10H,9H2,(H,20,23)
InChIKeyMZNVSXLTJHAJGB-UHFFFAOYSA-N
XLogP4.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 3935379) is N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MZNVSXLTJHAJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4OS/c17-11-6-12(18)8-13(7-11)20-15(23)9-24-16-21-19-10-22(16)14-4-2-1-3-5-14/h1-8,10H,9H2,(H,20,23).
What are the key properties of N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 379.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 3935379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).