2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide

C18H19BrN2OS — CID 2344731

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
SMILESC=C(NNC(=O)CSc1cc(C)c(Br)cc1C)c1ccccc1
InChIInChI=1S/C18H19BrN2OS/c1-12-10-17(13(2)9-16(12)19)23-11-18(22)21-20-14(3)15-7-5-4-6-8-15/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyZRTYNDUTGBUUJQ-UHFFFAOYSA-N
MW391.33 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide (PubChem CID 2344731) has the molecular formula C18H19BrN2OS and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
PubChem CID2344731
Molecular FormulaC18H19BrN2OS
Molecular Weight391.33 g/mol
Exact Mass390.04
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
SMILESC=C(NNC(=O)CSc1cc(C)c(Br)cc1C)c1ccccc1
InChIInChI=1S/C18H19BrN2OS/c1-12-10-17(13(2)9-16(12)19)23-11-18(22)21-20-14(3)15-7-5-4-6-8-15/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyZRTYNDUTGBUUJQ-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide (CID 2344731) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide is C=C(NNC(=O)CSc1cc(C)c(Br)cc1C)c1ccccc1.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide?
The InChIKey is ZRTYNDUTGBUUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2OS/c1-12-10-17(13(2)9-16(12)19)23-11-18(22)21-20-14(3)15-7-5-4-6-8-15/h4-10,20H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide has a molecular weight of 391.33 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide is sourced from PubChem (CID 2344731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).