ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate

C14H19ClN2O4S — CID 143045830

IUPACethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCl)sc(N2CCOCC2)c1C
InChIInChI=1S/C14H19ClN2O4S/c1-3-21-14(19)11-9(2)13(17-4-6-20-7-5-17)22-12(11)16-10(18)8-15/h3-8H2,1-2H3,(H,16,18)
InChIKeyGJCCGEYWQURLLE-UHFFFAOYSA-N
MW346.84 g/mol
LogP2.25
Rot. Bonds5

About ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate

ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate (PubChem CID 143045830) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate
PubChem CID143045830
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Nameethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCl)sc(N2CCOCC2)c1C
InChIInChI=1S/C14H19ClN2O4S/c1-3-21-14(19)11-9(2)13(17-4-6-20-7-5-17)22-12(11)16-10(18)8-15/h3-8H2,1-2H3,(H,16,18)
InChIKeyGJCCGEYWQURLLE-UHFFFAOYSA-N
XLogP2.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate 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

diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
CID 1182906
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 17062593
ethyl 5-(butylcarbamoyl)-2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 17062152
ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 4216825
ethyl 2-[[2-(2-hydroxyethylamino)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 652693
diethyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
CID 4074758
ethyl 5-acetyl-4-amino-2-(1,4-oxazepan-4-yl)thiophene-3-carboxylate
CID 103421769
ethyl 2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 2777457
ethyl 2-[[2-(2-morpholin-4-ylethylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 134064535
ethyl 6-methyl-2-[[2-(3-morpholin-4-ylpropylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4990426
ethyl 2-[(2-chloroacetyl)amino]-5-[(3-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 3116107
ethyl 2-[(2-chloroacetyl)amino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 2384402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate (CID 143045830) is ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CCl)sc(N2CCOCC2)c1C.
What is the InChIKey of ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate?
The InChIKey is GJCCGEYWQURLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-3-21-14(19)11-9(2)13(17-4-6-20-7-5-17)22-12(11)16-10(18)8-15/h3-8H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate?
ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate has a molecular weight of 346.84 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-morpholin-4-ylthiophene-3-carboxylate is sourced from PubChem (CID 143045830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).