N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide

C15H22N2O3S — CID 83101761

IUPACN-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CC(=O)c1ccc(CC)s1
InChIInChI=1S/C15H22N2O3S/c1-3-11-5-6-14(21-11)13(18)9-17-7-8-20-10-12(17)15(19)16-4-2/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,19)
InChIKeyQAHZBVUDCFACBT-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.33
Rot. Bonds6

About N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide

N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 83101761) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide
PubChem CID83101761
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CC(=O)c1ccc(CC)s1
InChIInChI=1S/C15H22N2O3S/c1-3-11-5-6-14(21-11)13(18)9-17-7-8-20-10-12(17)15(19)16-4-2/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,19)
InChIKeyQAHZBVUDCFACBT-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide (CID 83101761) is N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide is CCNC(=O)C1COCCN1CC(=O)c1ccc(CC)s1.
What is the InChIKey of N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is QAHZBVUDCFACBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-11-5-6-14(21-11)13(18)9-17-7-8-20-10-12(17)15(19)16-4-2/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,19).
What are the key properties of N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide?
N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide is sourced from PubChem (CID 83101761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).