methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate

C15H20N2O5S — CID 58772712

IUPACmethyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CCCCN1CCOCC1=O
InChIInChI=1S/C15H20N2O5S/c1-21-15(20)14-11(5-9-23-14)16-12(18)4-2-3-6-17-7-8-22-10-13(17)19/h5,9H,2-4,6-8,10H2,1H3,(H,16,18)
InChIKeyHBGSVJIUQLQXGD-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.50
Rot. Bonds7

About methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate

methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate (PubChem CID 58772712) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate
PubChem CID58772712
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Namemethyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CCCCN1CCOCC1=O
InChIInChI=1S/C15H20N2O5S/c1-21-15(20)14-11(5-9-23-14)16-12(18)4-2-3-6-17-7-8-22-10-13(17)19/h5,9H,2-4,6-8,10H2,1H3,(H,16,18)
InChIKeyHBGSVJIUQLQXGD-UHFFFAOYSA-N
XLogP1.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]thiophene-2-carboxylate
CID 17426187
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
methyl 3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]thiophene-2-carboxylate
CID 17413995
N-(2-amino-4-fluorophenyl)-4-(3-oxomorpholin-4-yl)butanamide
CID 79468585
methyl 3-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]thiophene-2-carboxylate
CID 26705037
methyl 3-[3-(1-methyl-6-oxopyridazin-3-yl)propanoylamino]thiophene-2-carboxylate
CID 72719802
methyl 3-[[2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate
CID 47945221
methyl 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 43556558
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502
methyl 3-[(2-butylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 43409254
methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 55173040

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate (CID 58772712) is methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CCCCN1CCOCC1=O.
What is the InChIKey of methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate?
The InChIKey is HBGSVJIUQLQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-21-15(20)14-11(5-9-23-14)16-12(18)4-2-3-6-17-7-8-22-10-13(17)19/h5,9H,2-4,6-8,10H2,1H3,(H,16,18).
What are the key properties of methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate?
methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate has a molecular weight of 340.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(3-oxomorpholin-4-yl)pentanoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 58772712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).