N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide

C9H9Cl2N3O2S — CID 134122788

IUPACN-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESNNC(=S)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N3O2S/c10-5-1-2-7(6(11)3-5)16-4-8(15)13-9(17)14-12/h1-3H,4,12H2,(H2,13,14,15,17)
InChIKeyJWGNMGZGTGQGSR-UHFFFAOYSA-N
MW294.16 g/mol
LogP1.24
Rot. Bonds3

About N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide

N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 134122788) has the molecular formula C9H9Cl2N3O2S and a molecular weight of 294.16 g/mol. Its IUPAC name is N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID134122788
Molecular FormulaC9H9Cl2N3O2S
Molecular Weight294.16 g/mol
Exact Mass292.98
IUPAC NameN-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESNNC(=S)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N3O2S/c10-5-1-2-7(6(11)3-5)16-4-8(15)13-9(17)14-12/h1-3H,4,12H2,(H2,13,14,15,17)
InChIKeyJWGNMGZGTGQGSR-UHFFFAOYSA-N
XLogP1.24
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
CID 4630939
2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659055
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506243
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 5241257
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
2,4-dichloro-N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3508978
2-chloro-4-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid
CID 1328323
2-(4-bromo-2-methylphenoxy)-N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3491324
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 19167851
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4630948
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024

Frequently Asked Questions

What is the IUPAC name of N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide (CID 134122788) is N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide is NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is JWGNMGZGTGQGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2S/c10-5-1-2-7(6(11)3-5)16-4-8(15)13-9(17)14-12/h1-3H,4,12H2,(H2,13,14,15,17).
What are the key properties of N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide?
N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 294.16 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 134122788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).