N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide

C15H21BrN4O3S — CID 155663169

IUPACN'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide
SMILESC/C(=N\NN(S)C(=O)CCCCCC(=O)NO)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN4O3S/c1-11(12-6-5-7-13(16)10-12)17-19-20(24)15(22)9-4-2-3-8-14(21)18-23/h5-7,10,19,23-24H,2-4,8-9H2,1H3,(H,18,21)/b17-11+
InChIKeyURHCEQQKFMGTIJ-GZTJUZNOSA-N
MW417.33 g/mol
LogP2.81
Rot. Bonds9

About N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide

N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide (PubChem CID 155663169) has the molecular formula C15H21BrN4O3S and a molecular weight of 417.33 g/mol. Its IUPAC name is N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide.

Molecular Properties

Compound NameN'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide
PubChem CID155663169
Molecular FormulaC15H21BrN4O3S
Molecular Weight417.33 g/mol
Exact Mass416.05
IUPAC NameN'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide
SMILESC/C(=N\NN(S)C(=O)CCCCCC(=O)NO)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN4O3S/c1-11(12-6-5-7-13(16)10-12)17-19-20(24)15(22)9-4-2-3-8-14(21)18-23/h5-7,10,19,23-24H,2-4,8-9H2,1H3,(H,18,21)/b17-11+
InChIKeyURHCEQQKFMGTIJ-GZTJUZNOSA-N
XLogP2.81
TPSA94.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
6-[[(E)-1-(3-bromophenyl)ethylideneamino]carbamothioylamino]-N-hydroxyhexanamide
CID 162670836
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
N-(2-aminophenyl)-N'-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-N'-sulfanylheptanediamide
CID 155663157
N'-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide
CID 155663186
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
N-[1-(3-bromophenyl)ethylidene]butanamide
CID 89273073
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N-hydroxy-N-[[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-sulfanylcarbamoyl]butanamide
CID 155663159
1-(3-bromophenyl)dodecan-1-one
CID 146009457

Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide?
The IUPAC name of N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide (CID 155663169) is N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide.
What is the SMILES notation for N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide?
The canonical SMILES for N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide is C/C(=N\NN(S)C(=O)CCCCCC(=O)NO)c1cccc(Br)c1.
What is the InChIKey of N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide?
The InChIKey is URHCEQQKFMGTIJ-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H21BrN4O3S/c1-11(12-6-5-7-13(16)10-12)17-19-20(24)15(22)9-4-2-3-8-14(21)18-23/h5-7,10,19,23-24H,2-4,8-9H2,1H3,(H,18,21)/b17-11+.
What are the key properties of N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide?
N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide has a molecular weight of 417.33 g/mol, XLogP of 2.81, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-N-hydroxy-N'-sulfanylheptanediamide is sourced from PubChem (CID 155663169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).