2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate

C20H29NO5S — CID 70953303

IUPAC2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate
SMILESCC1C(O)CC(=O)[C@@H]1CCCc1ccc(C(=O)OCCN2CCOCC2)s1
InChIInChI=1S/C20H29NO5S/c1-14-16(18(23)13-17(14)22)4-2-3-15-5-6-19(27-15)20(24)26-12-9-21-7-10-25-11-8-21/h5-6,14,16-17,22H,2-4,7-13H2,1H3/t14?,16-,17?/m1/s1
InChIKeyYNVXCTKWOYTGDC-ARWYELJZSA-N
MW395.52 g/mol
LogP2.15
Rot. Bonds8

About 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate

2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate (PubChem CID 70953303) has the molecular formula C20H29NO5S and a molecular weight of 395.52 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate
PubChem CID70953303
Molecular FormulaC20H29NO5S
Molecular Weight395.52 g/mol
Exact Mass395.18
IUPAC Name2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate
SMILESCC1C(O)CC(=O)[C@@H]1CCCc1ccc(C(=O)OCCN2CCOCC2)s1
InChIInChI=1S/C20H29NO5S/c1-14-16(18(23)13-17(14)22)4-2-3-15-5-6-19(27-15)20(24)26-12-9-21-7-10-25-11-8-21/h5-6,14,16-17,22H,2-4,7-13H2,1H3/t14?,16-,17?/m1/s1
InChIKeyYNVXCTKWOYTGDC-ARWYELJZSA-N
XLogP2.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate (CID 70953303) is 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate is CC1C(O)CC(=O)[C@@H]1CCCc1ccc(C(=O)OCCN2CCOCC2)s1.
What is the InChIKey of 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate?
The InChIKey is YNVXCTKWOYTGDC-ARWYELJZSA-N. The full InChI is InChI=1S/C20H29NO5S/c1-14-16(18(23)13-17(14)22)4-2-3-15-5-6-19(27-15)20(24)26-12-9-21-7-10-25-11-8-21/h5-6,14,16-17,22H,2-4,7-13H2,1H3/t14?,16-,17?/m1/s1.
What are the key properties of 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate?
2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate has a molecular weight of 395.52 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate is sourced from PubChem (CID 70953303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).