N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide

C16H24N4O3S — CID 9425595

IUPACN-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=S)NC(C)(C)C
InChIInChI=1S/C16H24N4O3S/c1-5-23-12-9-7-6-8-11(12)14(22)17-10-13(21)19-20-15(24)18-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,22)(H,19,21)(H2,18,20,24)
InChIKeyNONUWVYSUCVOFG-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.11
Rot. Bonds5

About N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide

N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 9425595) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
PubChem CID9425595
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=S)NC(C)(C)C
InChIInChI=1S/C16H24N4O3S/c1-5-23-12-9-7-6-8-11(12)14(22)17-10-13(21)19-20-15(24)18-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,22)(H,19,21)(H2,18,20,24)
InChIKeyNONUWVYSUCVOFG-UHFFFAOYSA-N
XLogP1.11
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
N-[2-[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]carbamothioyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
CID 11946026
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 9425692
N-tert-butyl-2-[(2-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4926914
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 41375551
ethyl 2-[(2-ethoxybenzoyl)carbamothioylamino]acetate
CID 18822963
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191
N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
CID 9159803

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide (CID 9425595) is N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)NNC(=S)NC(C)(C)C.
What is the InChIKey of N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is NONUWVYSUCVOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-5-23-12-9-7-6-8-11(12)14(22)17-10-13(21)19-20-15(24)18-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,22)(H,19,21)(H2,18,20,24).
What are the key properties of N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 352.46 g/mol, XLogP of 1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 9425595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).