[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate

C21H23NO5S — CID 7874758

IUPAC[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)c(C)c1
InChIInChI=1S/C21H23NO5S/c1-14-3-5-17(15(2)11-14)21(25)27-13-18(23)19-6-4-16(28-19)12-20(24)22-7-9-26-10-8-22/h3-6,11H,7-10,12-13H2,1-2H3
InChIKeyDHFYLCUKHFEJEI-UHFFFAOYSA-N
MW401.48 g/mol
LogP2.81
Rot. Bonds6

About [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate

[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate (PubChem CID 7874758) has the molecular formula C21H23NO5S and a molecular weight of 401.48 g/mol. Its IUPAC name is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate
PubChem CID7874758
Molecular FormulaC21H23NO5S
Molecular Weight401.48 g/mol
Exact Mass401.13
IUPAC Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)c(C)c1
InChIInChI=1S/C21H23NO5S/c1-14-3-5-17(15(2)11-14)21(25)27-13-18(23)19-6-4-16(28-19)12-20(24)22-7-9-26-10-8-22/h3-6,11H,7-10,12-13H2,1-2H3
InChIKeyDHFYLCUKHFEJEI-UHFFFAOYSA-N
XLogP2.81
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate with MolForge

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Related Compounds

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2373980
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 3,4-dimethylbenzoate
CID 2364533
methyl 4-[(E)-3-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]prop-1-enyl]benzoate
CID 6213369
Methyl 4-[[[2-(2-thiophen-3-ylacetyl)oxyacetyl]amino]methyl]benzoate
CID 2369195
2-(3,4-Dimethylphenyl)-2-oxoethyl 2-(2-thienylcarbonylamino)acetate
CID 3158561
Thiophene-2-carboxylic acid (2-methoxy-ethylcarbamoyl)-phenyl-methyl ester
CID 654711
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,4-dimethylbenzoate
CID 2364510
[2-[5-(2-Morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7875101
[2-[5-(2-Morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,3-dimethylbenzoate
CID 8195376
[2-[4-(2-Acetamidoethyl)phenyl]-2-oxoethyl] thiophene-2-carboxylate
CID 9503678
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,4,6-trimethylbenzoate
CID 2482714
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3,5-dimethylpiperidine-1-carbonyl)benzoate
CID 4877943

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate?
The IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate (CID 7874758) is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate.
What is the SMILES notation for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate?
The canonical SMILES for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)c(C)c1.
What is the InChIKey of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate?
The InChIKey is DHFYLCUKHFEJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5S/c1-14-3-5-17(15(2)11-14)21(25)27-13-18(23)19-6-4-16(28-19)12-20(24)22-7-9-26-10-8-22/h3-6,11H,7-10,12-13H2,1-2H3.
What are the key properties of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate?
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate has a molecular weight of 401.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,4-dimethylbenzoate is sourced from PubChem (CID 7874758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).