4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide

C14H20N2O3S — CID 83103891

IUPAC4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1CC(=O)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-10(2)15-14(18)11-9-19-6-5-16(11)8-12(17)13-4-3-7-20-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,15,18)
InChIKeyQTSMHCSGXZNAGL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.16
Rot. Bonds5

About 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83103891) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83103891
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1CC(=O)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-10(2)15-14(18)11-9-19-6-5-16(11)8-12(17)13-4-3-7-20-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,15,18)
InChIKeyQTSMHCSGXZNAGL-UHFFFAOYSA-N
XLogP1.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 83102887
2-(3-methylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 43796416
5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 83102647
4-(2-cyclopentyl-2-oxoethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104751052
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 104751051
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
CID 83103448
potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104637
4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107347522
1-thiophen-2-yl-2-[4-(trimethylsilylmethyl)morpholin-3-yl]ethanone
CID 75478811
4-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103244

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83103891) is 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1CC(=O)c1cccs1.
What is the InChIKey of 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is QTSMHCSGXZNAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)15-14(18)11-9-19-6-5-16(11)8-12(17)13-4-3-7-20-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,15,18).
What are the key properties of 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83103891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).