N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide

C16H25N3O2S — CID 71344097

IUPACN-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide
SMILESCCCCCCCSCC(=O)Nc1ccc(NNC=O)cc1
InChIInChI=1S/C16H25N3O2S/c1-2-3-4-5-6-11-22-12-16(21)18-14-7-9-15(10-8-14)19-17-13-20/h7-10,13,19H,2-6,11-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyTWRXIIJALFQSOI-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.40
Rot. Bonds12

About N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide

N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide (PubChem CID 71344097) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide
PubChem CID71344097
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide
SMILESCCCCCCCSCC(=O)Nc1ccc(NNC=O)cc1
InChIInChI=1S/C16H25N3O2S/c1-2-3-4-5-6-11-22-12-16(21)18-14-7-9-15(10-8-14)19-17-13-20/h7-10,13,19H,2-6,11-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyTWRXIIJALFQSOI-UHFFFAOYSA-N
XLogP3.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dodecylsulfanyl-N-[4-(hydroperoxymethyl)phenyl]acetamide
CID 54040343
2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
CID 82180180
N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-(2-octoxyethylsulfanyl)acetamide
CID 59946777
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
N-[4-(didodecylcarbamothioylamino)anilino]formamide
CID 88765061
2-[6-[2-(4-anilinoanilino)-2-oxoethyl]sulfanylhexylsulfanyl]-N-(4-anilinophenyl)acetamide
CID 126713457
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-amino-3-(trifluoromethyl)phenyl]-2-pentylsulfanylacetamide
CID 107748472
N-(3-acetamidophenyl)-2-butylsulfanylacetamide
CID 31858519
N-[4-(2-formylhydrazinyl)phenyl]-3-(methylcarbamothioylamino)propanamide
CID 22900831
N-[2,6-di(propan-2-yl)phenyl]-2-octylsulfanylacetamide
CID 15817217
2-pentylsulfanylacetohydrazide
CID 107760927

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide?
The IUPAC name of N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide (CID 71344097) is N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide.
What is the SMILES notation for N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide?
The canonical SMILES for N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide is CCCCCCCSCC(=O)Nc1ccc(NNC=O)cc1.
What is the InChIKey of N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide?
The InChIKey is TWRXIIJALFQSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-3-4-5-6-11-22-12-16(21)18-14-7-9-15(10-8-14)19-17-13-20/h7-10,13,19H,2-6,11-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide?
N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide has a molecular weight of 323.46 g/mol, XLogP of 3.40, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide is sourced from PubChem (CID 71344097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).