2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide

C14H13N3O4S — CID 3097259

IUPAC2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide
SMILESCC(=NNC(=O)C(O)c1ccccc1)c1cc([N+](=O)[O-])cs1
InChIInChI=1S/C14H13N3O4S/c1-9(12-7-11(8-22-12)17(20)21)15-16-14(19)13(18)10-5-3-2-4-6-10/h2-8,13,18H,1H3,(H,16,19)
InChIKeyPEFBGUWDQURFNY-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.23
Rot. Bonds5

About 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide

2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide (PubChem CID 3097259) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide
PubChem CID3097259
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide
SMILESCC(=NNC(=O)C(O)c1ccccc1)c1cc([N+](=O)[O-])cs1
InChIInChI=1S/C14H13N3O4S/c1-9(12-7-11(8-22-12)17(20)21)15-16-14(19)13(18)10-5-3-2-4-6-10/h2-8,13,18H,1H3,(H,16,19)
InChIKeyPEFBGUWDQURFNY-UHFFFAOYSA-N
XLogP2.23
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide 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

(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6345926
2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide
CID 5334872
4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide
CID 4029155
N-[1-(4-nitrothiophen-2-yl)ethylidene]hydroxylamine
CID 86135723
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 129441465
(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6341466
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
2,2-diphenyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 969030
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
CID 54785337

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide (CID 3097259) is 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide is CC(=NNC(=O)C(O)c1ccccc1)c1cc([N+](=O)[O-])cs1.
What is the InChIKey of 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide?
The InChIKey is PEFBGUWDQURFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-9(12-7-11(8-22-12)17(20)21)15-16-14(19)13(18)10-5-3-2-4-6-10/h2-8,13,18H,1H3,(H,16,19).
What are the key properties of 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide?
2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide has a molecular weight of 319.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide is sourced from PubChem (CID 3097259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).