bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene

C22H28N4O6S2 — CID 91553556

IUPACbis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene
SMILESC=C.CC(=O)NNC(=O)CSc1ccc(O)cc1.CC(=O)NNC(=O)CSc1ccc(O)cc1
InChIInChI=1S/2C10H12N2O3S.C2H4/c2*1-7(13)11-12-10(15)6-16-9-4-2-8(14)3-5-9;1-2/h2*2-5,14H,6H2,1H3,(H,11,13)(H,12,15);1-2H2
InChIKeyMKEKOSGOMGRVTI-UHFFFAOYSA-N
MW508.62 g/mol
LogP2.11
Rot. Bonds6

About bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene

bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene (PubChem CID 91553556) has the molecular formula C22H28N4O6S2 and a molecular weight of 508.62 g/mol. Its IUPAC name is bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene.

Molecular Properties

Compound Namebis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene
PubChem CID91553556
Molecular FormulaC22H28N4O6S2
Molecular Weight508.62 g/mol
Exact Mass508.15
IUPAC Namebis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene
SMILESC=C.CC(=O)NNC(=O)CSc1ccc(O)cc1.CC(=O)NNC(=O)CSc1ccc(O)cc1
InChIInChI=1S/2C10H12N2O3S.C2H4/c2*1-7(13)11-12-10(15)6-16-9-4-2-8(14)3-5-9;1-2/h2*2-5,14H,6H2,1H3,(H,11,13)(H,12,15);1-2H2
InChIKeyMKEKOSGOMGRVTI-UHFFFAOYSA-N
XLogP2.11
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 52.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene?
The IUPAC name of bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene (CID 91553556) is bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene.
What is the SMILES notation for bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene?
The canonical SMILES for bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene is C=C.CC(=O)NNC(=O)CSc1ccc(O)cc1.CC(=O)NNC(=O)CSc1ccc(O)cc1.
What is the InChIKey of bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene?
The InChIKey is MKEKOSGOMGRVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2O3S.C2H4/c2*1-7(13)11-12-10(15)6-16-9-4-2-8(14)3-5-9;1-2/h2*2-5,14H,6H2,1H3,(H,11,13)(H,12,15);1-2H2.
What are the key properties of bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene?
bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene has a molecular weight of 508.62 g/mol, XLogP of 2.11, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene is sourced from PubChem (CID 91553556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).