5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one

C16H22N2O2S — CID 43733390

IUPAC5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NC(C)c2cc(C)sc2C)ccc1=O
InChIInChI=1S/C16H22N2O2S/c1-11-9-15(13(3)21-11)12(2)17-14-5-6-16(19)18(10-14)7-8-20-4/h5-6,9-10,12,17H,7-8H2,1-4H3
InChIKeyDUNRZXSMZFPUQM-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.35
Rot. Bonds6

About 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one

5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 43733390) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID43733390
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NC(C)c2cc(C)sc2C)ccc1=O
InChIInChI=1S/C16H22N2O2S/c1-11-9-15(13(3)21-11)12(2)17-14-5-6-16(19)18(10-14)7-8-20-4/h5-6,9-10,12,17H,7-8H2,1-4H3
InChIKeyDUNRZXSMZFPUQM-UHFFFAOYSA-N
XLogP3.35
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one (CID 43733390) is 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(NC(C)c2cc(C)sc2C)ccc1=O.
What is the InChIKey of 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is DUNRZXSMZFPUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-9-15(13(3)21-11)12(2)17-14-5-6-16(19)18(10-14)7-8-20-4/h5-6,9-10,12,17H,7-8H2,1-4H3.
What are the key properties of 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one?
5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 306.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 43733390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).