3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide

C19H22N2O3S — CID 18273997

IUPAC3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-3-7-16(8-4-14)24-12-11-18(22)20-21-19(23)13-25-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFSKKSBWNVDXPOI-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.01
Rot. Bonds7

About 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide

3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide (PubChem CID 18273997) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
PubChem CID18273997
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-3-7-16(8-4-14)24-12-11-18(22)20-21-19(23)13-25-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFSKKSBWNVDXPOI-UHFFFAOYSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.01
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

3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 9418079
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
CID 7969751
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide
CID 26311228
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
tert-butyl N-[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamate
CID 2219793
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616798
N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide
CID 30860081
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The IUPAC name of 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide (CID 18273997) is 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide.
What is the SMILES notation for 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The canonical SMILES for 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide is Cc1ccc(OCCC(=O)NNC(=O)CSc2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The InChIKey is FSKKSBWNVDXPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-3-7-16(8-4-14)24-12-11-18(22)20-21-19(23)13-25-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide has a molecular weight of 358.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide is sourced from PubChem (CID 18273997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).