2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide

C27H27N3O3S — CID 6280531

IUPAC2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(/C=N\NC(=O)CSC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H27N3O3S/c1-18(2)29-25(31)16-33-20-13-11-19(12-14-20)15-28-30-26(32)17-34-27-23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-15,18,27H,16-17H2,1-2H3,(H,29,31)(H,30,32)/b28-15-
InChIKeyVVEXODUTCUBMKL-MBTHVWNTSA-N
MW473.60 g/mol
LogP4.54
Rot. Bonds9

About 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide

2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 6280531) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide
PubChem CID6280531
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(/C=N\NC(=O)CSC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H27N3O3S/c1-18(2)29-25(31)16-33-20-13-11-19(12-14-20)15-28-30-26(32)17-34-27-23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-15,18,27H,16-17H2,1-2H3,(H,29,31)(H,30,32)/b28-15-
InChIKeyVVEXODUTCUBMKL-MBTHVWNTSA-N
XLogP4.54
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylamino)phenyl]methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
CID 3898418
N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide
CID 94863681
N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94832391
3-(4-methylphenyl)sulfanyl-N-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]propanamide
CID 126122043
2-[4-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]-N-(1-phenylethyl)acetamide
CID 5349368
2-(9H-fluoren-9-ylsulfanyl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4267324
3,4-dimethoxy-N-[(E)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzamide
CID 94833106
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832433
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 94863500

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide (CID 6280531) is 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CSC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is VVEXODUTCUBMKL-MBTHVWNTSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-18(2)29-25(31)16-33-20-13-11-19(12-14-20)15-28-30-26(32)17-34-27-23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-15,18,27H,16-17H2,1-2H3,(H,29,31)(H,30,32)/b28-15-.
What are the key properties of 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide?
2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 473.60 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 6280531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).