ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C23H28N4O5S — CID 1300245

IUPACethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H28N4O5S/c1-2-32-23(30)27-9-8-17-18(14-27)33-22(25-19(28)15-26-10-12-31-13-11-26)20(17)21(29)24-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyYLBBPLJQJSVASN-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.79
Rot. Bonds6

About ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 1300245) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID1300245
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Nameethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H28N4O5S/c1-2-32-23(30)27-9-8-17-18(14-27)33-22(25-19(28)15-26-10-12-31-13-11-26)20(17)21(29)24-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyYLBBPLJQJSVASN-UHFFFAOYSA-N
XLogP2.79
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-(anilinocarbonyl)-2-{[(4-methyl-1-piperazinyl)acetyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
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ethyl 4-hydroxy-2-phenyl-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
CID 3236572
ethyl 2-[4-(dimethylamino)phenyl]-4-hydroxy-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
CID 4124932
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CID 6620074
2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-phenylacetamide
CID 16033842
ethyl 3-benzyl-1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
CID 16195374
2-(11-acetyl-4-benzyl-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 20879369
2-(7-Acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-D]pyrimidin-1(2H)-YL)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 20879396
2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride
CID 118307451
ethyl 3-(4-ethylphenyl)-1-methyl-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
CID 16010059
2-[7-acetyl-3-(3-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3-methoxypropyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 1300245) is ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2ccccc2)C1.
What is the InChIKey of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is YLBBPLJQJSVASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-2-32-23(30)27-9-8-17-18(14-27)33-22(25-19(28)15-26-10-12-31-13-11-26)20(17)21(29)24-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,24,29)(H,25,28).
What are the key properties of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 472.57 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-morpholin-4-ylacetyl)amino]-3-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 1300245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).