2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide

C14H19BrN2OS — CID 2352475

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide
SMILESC=C(CC)NNC(=O)CSc1cc(C)c(Br)cc1C
InChIInChI=1S/C14H19BrN2OS/c1-5-11(4)16-17-14(18)8-19-13-7-9(2)12(15)6-10(13)3/h6-7,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyIWIXWUCUTGRVFH-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.70
Rot. Bonds6

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide (PubChem CID 2352475) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide
PubChem CID2352475
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide
SMILESC=C(CC)NNC(=O)CSc1cc(C)c(Br)cc1C
InChIInChI=1S/C14H19BrN2OS/c1-5-11(4)16-17-14(18)8-19-13-7-9(2)12(15)6-10(13)3/h6-7,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyIWIXWUCUTGRVFH-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.70
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'-but-1-en-2-ylacetohydrazide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide (CID 2352475) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide is C=C(CC)NNC(=O)CSc1cc(C)c(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide?
The InChIKey is IWIXWUCUTGRVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-5-11(4)16-17-14(18)8-19-13-7-9(2)12(15)6-10(13)3/h6-7,16H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N'-but-1-en-2-ylacetohydrazide has a molecular weight of 343.29 g/mol, XLogP of 3.70, 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'-but-1-en-2-ylacetohydrazide is sourced from PubChem (CID 2352475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).