N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide

C13H17ClN2O2S — CID 78786049

IUPACN'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2S/c1-9(2)13(18)16-15-12(17)7-8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBNKLJLTXRDEHEV-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.63
Rot. Bonds5

About N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide

N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide (PubChem CID 78786049) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide
PubChem CID78786049
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2S/c1-9(2)13(18)16-15-12(17)7-8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBNKLJLTXRDEHEV-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
N-[(2S)-1-aminopropan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 120505086
(2S)-2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid
CID 61137724
N-[4-[3-(2-chlorophenyl)sulfanylpropanoylamino]phenyl]-3-methylbutanamide
CID 33026059
(2S,3R)-2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-hydroxybutanoic acid
CID 104964640
2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-hydroxybutanoic acid
CID 43238727
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500451
2-[[3-(2-chlorophenyl)sulfanylpropanoylamino]methyl]-3-methylbutanoic acid
CID 65219946
2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-4-methylpentanoic acid
CID 43238535
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
CID 43390274

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide (CID 78786049) is N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide is CC(C)C(=O)NNC(=O)CCSc1ccccc1Cl.
What is the InChIKey of N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide?
The InChIKey is BNKLJLTXRDEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-9(2)13(18)16-15-12(17)7-8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide?
N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide has a molecular weight of 300.81 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide is sourced from PubChem (CID 78786049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).