2-methylsulfanyl-N'-tritylacetohydrazide

C22H22N2OS — CID 19429994

IUPAC2-methylsulfanyl-N'-tritylacetohydrazide
SMILESCSCC(=O)NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2OS/c1-26-17-21(25)23-24-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,24H,17H2,1H3,(H,23,25)
InChIKeyOIQUYDITGXLZTM-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.96
Rot. Bonds7

About 2-methylsulfanyl-N'-tritylacetohydrazide

2-methylsulfanyl-N'-tritylacetohydrazide (PubChem CID 19429994) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-methylsulfanyl-N'-tritylacetohydrazide.

Molecular Properties

Compound Name2-methylsulfanyl-N'-tritylacetohydrazide
PubChem CID19429994
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name2-methylsulfanyl-N'-tritylacetohydrazide
SMILESCSCC(=O)NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2OS/c1-26-17-21(25)23-24-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,24H,17H2,1H3,(H,23,25)
InChIKeyOIQUYDITGXLZTM-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
(2-tritylhydrazinyl)methanol
CID 118798818
N-acetyl-2-tritylsulfanylacetamide
CID 12837901
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
N-ethylethanamine;(2R)-3-methylsulfanyl-2-(tritylamino)propanoic acid
CID 90477349
3-[(2-methylsulfanylacetyl)amino]-2-phenylpropanoic acid
CID 62883515
methyl 2-[2-(2-methoxyacetyl)hydrazinyl]-2,2-diphenylacetate
CID 20696173
N-tritylpentanamide
CID 71163215
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514
2-amino-N-[(2R)-1,2-diphenylpropan-2-yl]acetamide;hydrochloride
CID 76971010

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N'-tritylacetohydrazide?
The IUPAC name of 2-methylsulfanyl-N'-tritylacetohydrazide (CID 19429994) is 2-methylsulfanyl-N'-tritylacetohydrazide.
What is the SMILES notation for 2-methylsulfanyl-N'-tritylacetohydrazide?
The canonical SMILES for 2-methylsulfanyl-N'-tritylacetohydrazide is CSCC(=O)NNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N'-tritylacetohydrazide?
The InChIKey is OIQUYDITGXLZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-26-17-21(25)23-24-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,24H,17H2,1H3,(H,23,25).
What are the key properties of 2-methylsulfanyl-N'-tritylacetohydrazide?
2-methylsulfanyl-N'-tritylacetohydrazide has a molecular weight of 362.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N'-tritylacetohydrazide is sourced from PubChem (CID 19429994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).