3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide

C14H23N3O2S2 — CID 103506506

IUPAC3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCSC(CC)C2)c(OC)c1N
InChIInChI=1S/C14H23N3O2S2/c1-4-9-8-17(6-7-20-9)14-11(19-3)10(15)12(21-14)13(18)16-5-2/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyIEUMNVLMTKXUKB-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.42
Rot. Bonds5

About 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide

3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 103506506) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
PubChem CID103506506
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCSC(CC)C2)c(OC)c1N
InChIInChI=1S/C14H23N3O2S2/c1-4-9-8-17(6-7-20-9)14-11(19-3)10(15)12(21-14)13(18)16-5-2/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyIEUMNVLMTKXUKB-UHFFFAOYSA-N
XLogP2.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxylate
CID 103506526
3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506114
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421810
3-amino-N-cyclopropyl-4-methoxy-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507469
3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542420
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone
CID 103506478
1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone
CID 103508916
methyl 4-amino-2-(3-aminopyrrolidin-1-yl)-5-(ethylcarbamoyl)thiophene-3-carboxylate
CID 103525739
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 106674824

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide (CID 103506506) is 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide is CCNC(=O)c1sc(N2CCSC(CC)C2)c(OC)c1N.
What is the InChIKey of 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is IEUMNVLMTKXUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-4-9-8-17(6-7-20-9)14-11(19-3)10(15)12(21-14)13(18)16-5-2/h9H,4-8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide?
3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103506506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).