methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate

C15H22N2O4S — CID 6469499

IUPACmethyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)CN2CCOCC2)c1C(=O)OC
InChIInChI=1S/C15H22N2O4S/c1-4-11-10(2)22-14(13(11)15(19)20-3)16-12(18)9-17-5-7-21-8-6-17/h4-9H2,1-3H3,(H,16,18)
InChIKeyGKEFSLVGVQZRGW-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.68
Rot. Bonds5

About methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate

methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 6469499) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID6469499
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namemethyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)CN2CCOCC2)c1C(=O)OC
InChIInChI=1S/C15H22N2O4S/c1-4-11-10(2)22-14(13(11)15(19)20-3)16-12(18)9-17-5-7-21-8-6-17/h4-9H2,1-3H3,(H,16,18)
InChIKeyGKEFSLVGVQZRGW-UHFFFAOYSA-N
XLogP1.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate (CID 6469499) is methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate is CCc1c(C)sc(NC(=O)CN2CCOCC2)c1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is GKEFSLVGVQZRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-4-11-10(2)22-14(13(11)15(19)20-3)16-12(18)9-17-5-7-21-8-6-17/h4-9H2,1-3H3,(H,16,18).
What are the key properties of methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 326.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-5-methyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 6469499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).