2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

C18H20N4O2S — CID 9214150

IUPAC2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCCc1ccc(NC(=S)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N4O2S/c1-3-13-6-10-15(11-7-13)20-18(25)22-21-17(24)16(23)19-14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyIKTNZZAGQDTYNO-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.51
Rot. Bonds3

About 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 9214150) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID9214150
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCCc1ccc(NC(=S)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N4O2S/c1-3-13-6-10-15(11-7-13)20-18(25)22-21-17(24)16(23)19-14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyIKTNZZAGQDTYNO-UHFFFAOYSA-N
XLogP2.51
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 8659235
1-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-(4-ethylphenyl)thiourea
CID 7988123
tert-butyl N-[(4-ethylphenyl)carbamothioylamino]carbamate
CID 7988138
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea
CID 100611547
2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9214234
N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 45000406
1-methyl-3-[(4-methylphenyl)carbamothioylamino]thiourea
CID 8001100
1-(4-methylphenyl)-3-(propylcarbamothioylamino)thiourea
CID 7988089
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
3-[2-[2-(4-ethylanilino)-2-oxoacetyl]hydrazinyl]-N-(3-methylphenyl)but-2-enamide
CID 4173846
1-(4-methylphenyl)-3-(octanoylamino)thiourea
CID 86107669

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (CID 9214150) is 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is CCc1ccc(NC(=S)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is IKTNZZAGQDTYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-13-6-10-15(11-7-13)20-18(25)22-21-17(24)16(23)19-14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3,(H,19,23)(H,21,24)(H2,20,22,25).
What are the key properties of 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 356.45 g/mol, XLogP of 2.51, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 9214150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).