ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

C18H26N2O5S — CID 658568

IUPACethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC(C)(C)OC2
InChIInChI=1S/C18H26N2O5S/c1-4-24-17(22)15-12-9-18(2,3)25-11-13(12)26-16(15)19-14(21)10-20-5-7-23-8-6-20/h4-11H2,1-3H3,(H,19,21)
InChIKeySCBBTMQMSFJAIK-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.05
Rot. Bonds5

About ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate (PubChem CID 658568) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
PubChem CID658568
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Nameethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC(C)(C)OC2
InChIInChI=1S/C18H26N2O5S/c1-4-24-17(22)15-12-9-18(2,3)25-11-13(12)26-16(15)19-14(21)10-20-5-7-23-8-6-20/h4-11H2,1-3H3,(H,19,21)
InChIKeySCBBTMQMSFJAIK-UHFFFAOYSA-N
XLogP2.05
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate?
The IUPAC name of ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate (CID 658568) is ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
What is the SMILES notation for ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate?
The canonical SMILES for ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC(C)(C)OC2.
What is the InChIKey of ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate?
The InChIKey is SCBBTMQMSFJAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-4-24-17(22)15-12-9-18(2,3)25-11-13(12)26-16(15)19-14(21)10-20-5-7-23-8-6-20/h4-11H2,1-3H3,(H,19,21).
What are the key properties of ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate?
ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate has a molecular weight of 382.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate is sourced from PubChem (CID 658568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).