N'-acetyl-3-phenylsulfanylpropanehydrazide

C11H14N2O2S — CID 30905937

IUPACN'-acetyl-3-phenylsulfanylpropanehydrazide
SMILESCC(=O)NNC(=O)CCSc1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-9(14)12-13-11(15)7-8-16-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyVHYOFYNUVFYADG-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.34
Rot. Bonds4

About N'-acetyl-3-phenylsulfanylpropanehydrazide

N'-acetyl-3-phenylsulfanylpropanehydrazide (PubChem CID 30905937) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-acetyl-3-phenylsulfanylpropanehydrazide.

Molecular Properties

Compound NameN'-acetyl-3-phenylsulfanylpropanehydrazide
PubChem CID30905937
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN'-acetyl-3-phenylsulfanylpropanehydrazide
SMILESCC(=O)NNC(=O)CCSc1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-9(14)12-13-11(15)7-8-16-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyVHYOFYNUVFYADG-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.34
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'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
CID 9479389
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide
CID 4787769
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
CID 65315150
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78786041
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-3-phenylsulfanylpropanehydrazide?
The IUPAC name of N'-acetyl-3-phenylsulfanylpropanehydrazide (CID 30905937) is N'-acetyl-3-phenylsulfanylpropanehydrazide.
What is the SMILES notation for N'-acetyl-3-phenylsulfanylpropanehydrazide?
The canonical SMILES for N'-acetyl-3-phenylsulfanylpropanehydrazide is CC(=O)NNC(=O)CCSc1ccccc1.
What is the InChIKey of N'-acetyl-3-phenylsulfanylpropanehydrazide?
The InChIKey is VHYOFYNUVFYADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9(14)12-13-11(15)7-8-16-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-acetyl-3-phenylsulfanylpropanehydrazide?
N'-acetyl-3-phenylsulfanylpropanehydrazide has a molecular weight of 238.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3-phenylsulfanylpropanehydrazide is sourced from PubChem (CID 30905937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).