N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide

C17H17BrN2O2S — CID 78773955

IUPACN'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
SMILESCC(C)Sc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O2S/c1-11(2)23-15-6-4-3-5-14(15)17(22)20-19-16(21)12-7-9-13(18)10-8-12/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyDUITTWNRQGTDAN-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.02
Rot. Bonds4

About N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide

N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide (PubChem CID 78773955) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
PubChem CID78773955
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC NameN'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
SMILESCC(C)Sc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O2S/c1-11(2)23-15-6-4-3-5-14(15)17(22)20-19-16(21)12-7-9-13(18)10-8-12/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyDUITTWNRQGTDAN-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.02
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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Related Compounds

N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 51148209
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 112758656
4-bromo-N-[2-[(2-methylpropanoylamino)carbamoyl]phenyl]benzamide
CID 126011313
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide
CID 24624411
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78771952
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78778091
N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide
CID 17499079
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]sulfanylpropanoate
CID 55882632

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide (CID 78773955) is N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide is CC(C)Sc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide?
The InChIKey is DUITTWNRQGTDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c1-11(2)23-15-6-4-3-5-14(15)17(22)20-19-16(21)12-7-9-13(18)10-8-12/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide?
N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide has a molecular weight of 393.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide is sourced from PubChem (CID 78773955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).