N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide

C22H22N2O3S — CID 9418178

IUPACN'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCc2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-7-11-19(12-8-16)28-15-22(26)24-23-21(25)14-10-18-9-13-20(27-18)17-5-3-2-4-6-17/h2-9,11-13H,10,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyKFHDKTDSDJHLKZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.13
Rot. Bonds7

About N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide

N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide (PubChem CID 9418178) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
PubChem CID9418178
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCc2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-7-11-19(12-8-16)28-15-22(26)24-23-21(25)14-10-18-9-13-20(27-18)17-5-3-2-4-6-17/h2-9,11-13H,10,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyKFHDKTDSDJHLKZ-UHFFFAOYSA-N
XLogP4.13
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
CID 35767998
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 9418190
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
N'-[3-(5-phenylfuran-2-yl)propanoyl]pyridine-3-carbohydrazide
CID 51157515
[4-[3-(5-phenylfuran-2-yl)propanoylamino]phenyl] thiocyanate
CID 16651759
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9475645
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42377200
3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
CID 78773204
N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 22587391

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide?
The IUPAC name of N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide (CID 9418178) is N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide?
The canonical SMILES for N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide is Cc1ccc(SCC(=O)NNC(=O)CCc2ccc(-c3ccccc3)o2)cc1.
What is the InChIKey of N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide?
The InChIKey is KFHDKTDSDJHLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-7-11-19(12-8-16)28-15-22(26)24-23-21(25)14-10-18-9-13-20(27-18)17-5-3-2-4-6-17/h2-9,11-13H,10,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide?
N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide has a molecular weight of 394.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide is sourced from PubChem (CID 9418178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).