2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide

C16H18N2O2S — CID 105352546

IUPAC2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CSc2cccc(O)c2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(16(20)18-17)13-7-5-12(6-8-13)10-21-15-4-2-3-14(19)9-15/h2-9,11,19H,10,17H2,1H3,(H,18,20)
InChIKeyTVKMWQSUQRKWOE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.78
Rot. Bonds5

About 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide

2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide (PubChem CID 105352546) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
PubChem CID105352546
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CSc2cccc(O)c2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(16(20)18-17)13-7-5-12(6-8-13)10-21-15-4-2-3-14(19)9-15/h2-9,11,19H,10,17H2,1H3,(H,18,20)
InChIKeyTVKMWQSUQRKWOE-UHFFFAOYSA-N
XLogP2.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanoic acid
CID 105345300
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352545
2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352324
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide
CID 107760947
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide
CID 105352320
5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 104591174
2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352433
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide (CID 105352546) is 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(CSc2cccc(O)c2)cc1.
What is the InChIKey of 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide?
The InChIKey is TVKMWQSUQRKWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(16(20)18-17)13-7-5-12(6-8-13)10-21-15-4-2-3-14(19)9-15/h2-9,11,19H,10,17H2,1H3,(H,18,20).
What are the key properties of 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide?
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide has a molecular weight of 302.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).