methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate

C13H17NO5S — CID 79807133

IUPACmethyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cc(OC)cs2)CCO1
InChIInChI=1S/C13H17NO5S/c1-17-10-5-11(20-8-10)13(16)14-3-4-19-9(7-14)6-12(15)18-2/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyOEWKIXDPRYNNJS-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.16
Rot. Bonds4

About methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate

methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate (PubChem CID 79807133) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate
PubChem CID79807133
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Namemethyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cc(OC)cs2)CCO1
InChIInChI=1S/C13H17NO5S/c1-17-10-5-11(20-8-10)13(16)14-3-4-19-9(7-14)6-12(15)18-2/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyOEWKIXDPRYNNJS-UHFFFAOYSA-N
XLogP1.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate
CID 79465235
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate
CID 115533291
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate (CID 79807133) is methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2cc(OC)cs2)CCO1.
What is the InChIKey of methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate?
The InChIKey is OEWKIXDPRYNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-17-10-5-11(20-8-10)13(16)14-3-4-19-9(7-14)6-12(15)18-2/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate has a molecular weight of 299.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79807133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).