N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide

C18H20N2O4S2 — CID 9277080

IUPACN'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccccc2C2SCCS2)c(C)o1
InChIInChI=1S/C18H20N2O4S2/c1-11-9-14(12(2)24-11)17(22)20-19-16(21)10-23-15-6-4-3-5-13(15)18-25-7-8-26-18/h3-6,9,18H,7-8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQFDFQCUSPDMNRH-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.22
Rot. Bonds5

About N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9277080) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9277080
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC NameN'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccccc2C2SCCS2)c(C)o1
InChIInChI=1S/C18H20N2O4S2/c1-11-9-14(12(2)24-11)17(22)20-19-16(21)10-23-15-6-4-3-5-13(15)18-25-7-8-26-18/h3-6,9,18H,7-8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQFDFQCUSPDMNRH-UHFFFAOYSA-N
XLogP3.22
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468212
N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 55332060
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide
CID 9224868
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536657
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide
CID 9207552
N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 9032046
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263825
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 24673621
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7976394

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide (CID 9277080) is N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)COc2ccccc2C2SCCS2)c(C)o1.
What is the InChIKey of N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is QFDFQCUSPDMNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-11-9-14(12(2)24-11)17(22)20-19-16(21)10-23-15-6-4-3-5-13(15)18-25-7-8-26-18/h3-6,9,18H,7-8,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 392.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9277080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).