N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide

C21H24N2O3S — CID 55374410

IUPACN'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)CSc2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C21H24N2O3S/c1-14-6-8-18(10-15(14)2)26-12-20(24)22-23-21(25)13-27-19-9-7-16-4-3-5-17(16)11-19/h6-11H,3-5,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCPADTXYRGGDJPW-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.11
Rot. Bonds6

About N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide

N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide (PubChem CID 55374410) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide
PubChem CID55374410
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)CSc2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C21H24N2O3S/c1-14-6-8-18(10-15(14)2)26-12-20(24)22-23-21(25)13-27-19-9-7-16-4-3-5-17(16)11-19/h6-11H,3-5,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCPADTXYRGGDJPW-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide
CID 78771822
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-2-methylbenzohydrazide
CID 9220922
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone
CID 43413658
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630112
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 29371198
[2-oxo-2-(propylamino)ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596639
methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
CID 55916355
methyl 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-methylbenzoate
CID 35250339
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide (CID 55374410) is N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide is Cc1ccc(OCC(=O)NNC(=O)CSc2ccc3c(c2)CCC3)cc1C.
What is the InChIKey of N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide?
The InChIKey is CPADTXYRGGDJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-6-8-18(10-15(14)2)26-12-20(24)22-23-21(25)13-27-19-9-7-16-4-3-5-17(16)11-19/h6-11H,3-5,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide?
N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide has a molecular weight of 384.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide is sourced from PubChem (CID 55374410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).