(E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide

C9H9ClN2O3S — CID 112674391

IUPAC(E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide
SMILESNC(=O)CONC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2O3S/c10-7-3-1-6(16-7)2-4-9(14)12-15-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)/b4-2+
InChIKeyWARRMITUBFISNA-DUXPYHPUSA-N
MW260.70 g/mol
LogP0.95
Rot. Bonds5

About (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide

(E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide (PubChem CID 112674391) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide
PubChem CID112674391
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name(E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide
SMILESNC(=O)CONC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2O3S/c10-7-3-1-6(16-7)2-4-9(14)12-15-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)/b4-2+
InChIKeyWARRMITUBFISNA-DUXPYHPUSA-N
XLogP0.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide 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

(E)-3-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
CID 81340389
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide
CID 81341155
(E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide
CID 165133488
(E)-3-(5-chlorothiophen-2-yl)prop-2-enamide
CID 43237183
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-ethoxyacetamide
CID 45800539
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
3-(5-Chlorothiophen-2-yl)prop-2-enamide
CID 74868106
2-[3-(5-Chlorothiophen-2-yl)prop-2-enoylamino]oxyacetic acid
CID 77013240
3-(5-chlorothiophen-2-yl)-N-cyanoprop-2-enamide
CID 79194152
(E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79675672
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide
CID 79676695
(E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82724393

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide (CID 112674391) is (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide is NC(=O)CONC(=O)/C=C/c1ccc(Cl)s1.
What is the InChIKey of (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide?
The InChIKey is WARRMITUBFISNA-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c10-7-3-1-6(16-7)2-4-9(14)12-15-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)/b4-2+.
What are the key properties of (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide?
(E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide has a molecular weight of 260.70 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 112674391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).