N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide

C12H16N2O4S — CID 79682230

IUPACN'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSCC(O)CO)NNC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O4S/c15-6-10(16)7-19-8-11(17)13-14-12(18)9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2,(H,13,17)(H,14,18)
InChIKeyFQXVASCKRCJSSP-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.47
Rot. Bonds6

About N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide

N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide (PubChem CID 79682230) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide
PubChem CID79682230
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSCC(O)CO)NNC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O4S/c15-6-10(16)7-19-8-11(17)13-14-12(18)9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2,(H,13,17)(H,14,18)
InChIKeyFQXVASCKRCJSSP-UHFFFAOYSA-N
XLogP-0.47
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
CID 2221364
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
N'-(hydroxymethyl)benzohydrazide
CID 130128548
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 7969125
N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 672788
N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide
CID 47123165
benzoic acid;bis(propane-1,2,3-triol)
CID 68987923
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
N'-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 7845119
N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide
CID 43249743
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide (CID 79682230) is N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide is O=C(CSCC(O)CO)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide?
The InChIKey is FQXVASCKRCJSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-6-10(16)7-19-8-11(17)13-14-12(18)9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2,(H,13,17)(H,14,18).
What are the key properties of N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide?
N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide has a molecular weight of 284.34 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide is sourced from PubChem (CID 79682230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).