N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C19H21N3O3S — CID 4797791

IUPACN-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-26-13-12-16(20-17(23)14-8-4-2-5-9-14)19(25)22-21-18(24)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyZKLZLZSDSBIXEB-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.00
Rot. Bonds7

About N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 4797791) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID4797791
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-26-13-12-16(20-17(23)14-8-4-2-5-9-14)19(25)22-21-18(24)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyZKLZLZSDSBIXEB-UHFFFAOYSA-N
XLogP2.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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H-Cpa-Gly-Gly-Phe-Met-NH2
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N-[(Z)-1-Hydrazinocarbonyl-2-(4-methylsulfanyl-phenyl)-vinyl]-benzamide
CID 1984701
N-[1-(4-benzoylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 4963699
N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide
CID 4247911
N-(4-(2-hexylhydrazine-1-carbonyl)benzyl)benzamide
CID 139558698
N-(4-(2-pentylhydrazine-1-carbonyl)benzyl)benzamide
CID 139558699
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CID 139558706

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 4797791) is N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is ZKLZLZSDSBIXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-26-13-12-16(20-17(23)14-8-4-2-5-9-14)19(25)22-21-18(24)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 371.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 4797791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).