2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide

C14H12N4O5S2 — CID 3327759

IUPAC2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NC(=S)NNC(=O)c1cccs1
InChIInChI=1S/C14H12N4O5S2/c19-12(8-23-10-5-2-1-4-9(10)18(21)22)15-14(24)17-16-13(20)11-6-3-7-25-11/h1-7H,8H2,(H,16,20)(H2,15,17,19,24)
InChIKeyBRHJZZGSSKJJCH-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.37
Rot. Bonds5

About 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide

2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide (PubChem CID 3327759) has the molecular formula C14H12N4O5S2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
PubChem CID3327759
Molecular FormulaC14H12N4O5S2
Molecular Weight380.41 g/mol
Exact Mass380.02
IUPAC Name2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NC(=S)NNC(=O)c1cccs1
InChIInChI=1S/C14H12N4O5S2/c19-12(8-23-10-5-2-1-4-9(10)18(21)22)15-14(24)17-16-13(20)11-6-3-7-25-11/h1-7H,8H2,(H,16,20)(H2,15,17,19,24)
InChIKeyBRHJZZGSSKJJCH-UHFFFAOYSA-N
XLogP1.37
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]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-(4-bromo-2-methylphenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
CID 3491325
N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 3528114
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2-nitro-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide
CID 3469551
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
N-(2-chloroethylcarbamoyl)-2-(2-nitrophenoxy)acetamide
CID 141350081
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-nitrophenoxy)acetate
CID 2626600
N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4089645

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide (CID 3327759) is 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide is O=C(COc1ccccc1[N+](=O)[O-])NC(=S)NNC(=O)c1cccs1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide?
The InChIKey is BRHJZZGSSKJJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5S2/c19-12(8-23-10-5-2-1-4-9(10)18(21)22)15-14(24)17-16-13(20)11-6-3-7-25-11/h1-7H,8H2,(H,16,20)(H2,15,17,19,24).
What are the key properties of 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide?
2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide has a molecular weight of 380.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide is sourced from PubChem (CID 3327759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).