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

C17H23BrN2OS — CID 2350037

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide
SMILESCC1=C(NNC(=O)CSc2cc(C)c(Br)cc2C)CCCC1
InChIInChI=1S/C17H23BrN2OS/c1-11-6-4-5-7-15(11)19-20-17(21)10-22-16-9-12(2)14(18)8-13(16)3/h8-9,19H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyDGZQMOKQSZPQBE-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.63
Rot. Bonds5

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

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide (PubChem CID 2350037) has the molecular formula C17H23BrN2OS and a molecular weight of 383.36 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide
PubChem CID2350037
Molecular FormulaC17H23BrN2OS
Molecular Weight383.36 g/mol
Exact Mass382.07
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide
SMILESCC1=C(NNC(=O)CSc2cc(C)c(Br)cc2C)CCCC1
InChIInChI=1S/C17H23BrN2OS/c1-11-6-4-5-7-15(11)19-20-17(21)10-22-16-9-12(2)14(18)8-13(16)3/h8-9,19H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyDGZQMOKQSZPQBE-UHFFFAOYSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.63
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'-(2-methylcyclohexen-1-yl)acetohydrazide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide (CID 2350037) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide is CC1=C(NNC(=O)CSc2cc(C)c(Br)cc2C)CCCC1.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide?
The InChIKey is DGZQMOKQSZPQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2OS/c1-11-6-4-5-7-15(11)19-20-17(21)10-22-16-9-12(2)14(18)8-13(16)3/h8-9,19H,4-7,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-(2-methylcyclohexen-1-yl)acetohydrazide has a molecular weight of 383.36 g/mol, XLogP of 4.63, 5 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'-(2-methylcyclohexen-1-yl)acetohydrazide is sourced from PubChem (CID 2350037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).