N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide

C18H19N3O4S — CID 19188289

IUPACN-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O4S/c1-12(2)15-5-3-4-6-16(15)25-11-17(22)20-18(26)19-13-7-9-14(10-8-13)21(23)24/h3-10,12H,11H2,1-2H3,(H2,19,20,22,26)
InChIKeyCLKGQXNZNAMLIA-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.61
Rot. Bonds6

About N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 19188289) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID19188289
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O4S/c1-12(2)15-5-3-4-6-16(15)25-11-17(22)20-18(26)19-13-7-9-14(10-8-13)21(23)24/h3-10,12H,11H2,1-2H3,(H2,19,20,22,26)
InChIKeyCLKGQXNZNAMLIA-UHFFFAOYSA-N
XLogP3.61
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide 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

2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 3321407
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19188306
methyl 4-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate
CID 19188236
N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19188229
2-(2,5-dimethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5207866
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 927147
2-(4-bromo-2-methylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5208698
2-(4-ethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5241566
N-[(4-iodophenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide
CID 3351403
1-[2,6-di(propan-2-yl)phenyl]-3-(4-nitrophenyl)thiourea
CID 2954978
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188194
N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188311

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 19188289) is N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is CLKGQXNZNAMLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12(2)15-5-3-4-6-16(15)25-11-17(22)20-18(26)19-13-7-9-14(10-8-13)21(23)24/h3-10,12H,11H2,1-2H3,(H2,19,20,22,26).
What are the key properties of N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 373.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19188289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).