1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one

C12H19NO2S — CID 116591664

IUPAC1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one
SMILESCCc1ccc(CC(=O)CNCCOC)s1
InChIInChI=1S/C12H19NO2S/c1-3-11-4-5-12(16-11)8-10(14)9-13-6-7-15-2/h4-5,13H,3,6-9H2,1-2H3
InChIKeyNJPMPNQPJCSCOE-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.66
Rot. Bonds8

About 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one

1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one (PubChem CID 116591664) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one
PubChem CID116591664
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one
SMILESCCc1ccc(CC(=O)CNCCOC)s1
InChIInChI=1S/C12H19NO2S/c1-3-11-4-5-12(16-11)8-10(14)9-13-6-7-15-2/h4-5,13H,3,6-9H2,1-2H3
InChIKeyNJPMPNQPJCSCOE-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea
CID 47216290
N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 65303592
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
N-(5-ethyl-1,3-thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119755328
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116591542
1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 107311411
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665679
1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591432
methyl 2-[5-[(4-methoxybutylamino)methyl]thiophen-2-yl]acetate
CID 82894149
1-(5-ethylthiophen-2-yl)-4,4-dimethylpentan-2-one
CID 63892354

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one (CID 116591664) is 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one is CCc1ccc(CC(=O)CNCCOC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one?
The InChIKey is NJPMPNQPJCSCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-11-4-5-12(16-11)8-10(14)9-13-6-7-15-2/h4-5,13H,3,6-9H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one?
1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one has a molecular weight of 241.36 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one is sourced from PubChem (CID 116591664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).