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

C14H20N2O4S — CID 6468961

IUPACmethyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)CN2CCOCC2)s1
InChIInChI=1S/C14H20N2O4S/c1-3-10-8-11(14(18)19-2)13(21-10)15-12(17)9-16-4-6-20-7-5-16/h8H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyRDGVPDSAXSPZTN-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.37
Rot. Bonds5

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

methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 6468961) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID6468961
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)CN2CCOCC2)s1
InChIInChI=1S/C14H20N2O4S/c1-3-10-8-11(14(18)19-2)13(21-10)15-12(17)9-16-4-6-20-7-5-16/h8H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyRDGVPDSAXSPZTN-UHFFFAOYSA-N
XLogP1.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 17282588
methyl 2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 40636242
methyl 5-ethyl-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22195326
methyl 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 22199349
methyl 5-ethyl-2-[[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22195701
methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
CID 19615322
methyl 5-ethyl-2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194579
ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55739030
methyl 5-ethyl-2-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22199970
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
methyl 5-ethyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate
CID 19654364
methyl 5-ethyl-2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]thiophene-3-carboxylate
CID 701105

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate (CID 6468961) is methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate is CCc1cc(C(=O)OC)c(NC(=O)CN2CCOCC2)s1.
What is the InChIKey of methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is RDGVPDSAXSPZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-10-8-11(14(18)19-2)13(21-10)15-12(17)9-16-4-6-20-7-5-16/h8H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 6468961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).