N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide

C16H24N2O3S — CID 78771822

IUPACN'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)CSC(C)(C)C)cc1C
InChIInChI=1S/C16H24N2O3S/c1-11-6-7-13(8-12(11)2)21-9-14(19)17-18-15(20)10-22-16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyRHAAPNVKQAIOIB-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.36
Rot. Bonds5

About N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide

N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide (PubChem CID 78771822) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide
PubChem CID78771822
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)CSC(C)(C)C)cc1C
InChIInChI=1S/C16H24N2O3S/c1-11-6-7-13(8-12(11)2)21-9-14(19)17-18-15(20)10-22-16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyRHAAPNVKQAIOIB-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672867
N'-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-(3,4-dimethylphenoxy)acetohydrazide
CID 55374410
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 18871077
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
4-tert-butyl-N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 55944327
4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 55676601

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide?
The IUPAC name of N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide (CID 78771822) is N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide.
What is the SMILES notation for N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide?
The canonical SMILES for N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide is Cc1ccc(OCC(=O)NNC(=O)CSC(C)(C)C)cc1C.
What is the InChIKey of N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide?
The InChIKey is RHAAPNVKQAIOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-6-7-13(8-12(11)2)21-9-14(19)17-18-15(20)10-22-16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide?
N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide has a molecular weight of 324.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide is sourced from PubChem (CID 78771822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).