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

C19H22N2O4S2 — CID 4790824

IUPACN'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-14-3-7-16(8-4-14)26-13-19(23)21-20-18(22)11-12-27(24,25)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWGGAULDNNWIVDU-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.41
Rot. Bonds7

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

N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide (PubChem CID 4790824) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
PubChem CID4790824
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-14-3-7-16(8-4-14)26-13-19(23)21-20-18(22)11-12-27(24,25)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWGGAULDNNWIVDU-UHFFFAOYSA-N
XLogP2.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
The IUPAC name of N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide (CID 4790824) is N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
The canonical SMILES for N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide is Cc1ccc(SCC(=O)NNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
The InChIKey is WGGAULDNNWIVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-14-3-7-16(8-4-14)26-13-19(23)21-20-18(22)11-12-27(24,25)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 N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide has a molecular weight of 406.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 4790824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).