[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate

C19H22N2O4S — CID 7768832

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CN2CCOCC2)cc1)NCc1cccs1
InChIInChI=1S/C19H22N2O4S/c22-18(20-12-17-2-1-11-26-17)14-25-19(23)16-5-3-15(4-6-16)13-21-7-9-24-10-8-21/h1-6,11H,7-10,12-14H2,(H,20,22)
InChIKeyYDKSZVIVELJTOQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.05
Rot. Bonds7

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate (PubChem CID 7768832) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
PubChem CID7768832
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CN2CCOCC2)cc1)NCc1cccs1
InChIInChI=1S/C19H22N2O4S/c22-18(20-12-17-2-1-11-26-17)14-25-19(23)16-5-3-15(4-6-16)13-21-7-9-24-10-8-21/h1-6,11H,7-10,12-14H2,(H,20,22)
InChIKeyYDKSZVIVELJTOQ-UHFFFAOYSA-N
XLogP2.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate
CID 9473607
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 27889825
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4302428
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769208
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768690
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
CID 2480266
[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769445
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499455
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8553069
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate (CID 7768832) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate is O=C(COC(=O)c1ccc(CN2CCOCC2)cc1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is YDKSZVIVELJTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-18(20-12-17-2-1-11-26-17)14-25-19(23)16-5-3-15(4-6-16)13-21-7-9-24-10-8-21/h1-6,11H,7-10,12-14H2,(H,20,22).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 374.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 7768832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).