ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate

C16H24N2O4S — CID 171980451

IUPACethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(CC)cc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-3-12-11-13(15(23-12)16(20)22-4-2)17-14(19)5-6-18-7-9-21-10-8-18/h11H,3-10H2,1-2H3,(H,17,19)
InChIKeyQFDIQMWAPPLMIQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.15
Rot. Bonds7

About ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate

ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate (PubChem CID 171980451) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate
PubChem CID171980451
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Nameethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(CC)cc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-3-12-11-13(15(23-12)16(20)22-4-2)17-14(19)5-6-18-7-9-21-10-8-18/h11H,3-10H2,1-2H3,(H,17,19)
InChIKeyQFDIQMWAPPLMIQ-UHFFFAOYSA-N
XLogP2.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 3-methyl-5-(3-morpholin-4-ylpropanoylamino)thiophene-2,4-dicarboxylate
CID 1182906
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate
CID 2654063
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62988964
N-(2-methyl-1H-indol-4-yl)-3-morpholin-4-ylpropanamide
CID 138457611
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 100975758
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
CID 6468961
ethyl 4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]piperazine-1-carboxylate
CID 109029204
N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62986506

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate (CID 171980451) is ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(CC)cc1NC(=O)CCN1CCOCC1.
What is the InChIKey of ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate?
The InChIKey is QFDIQMWAPPLMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-12-11-13(15(23-12)16(20)22-4-2)17-14(19)5-6-18-7-9-21-10-8-18/h11H,3-10H2,1-2H3,(H,17,19).
What are the key properties of ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate?
ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 171980451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).