2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide

C16H20N2O2S — CID 62345183

IUPAC2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
SMILESCCc1ccc(CNc2cccc(OCC(=O)NC)c2)s1
InChIInChI=1S/C16H20N2O2S/c1-3-14-7-8-15(21-14)10-18-12-5-4-6-13(9-12)20-11-16(19)17-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyDEOKZRKQQRVURR-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.05
Rot. Bonds7

About 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide

2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide (PubChem CID 62345183) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
PubChem CID62345183
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
SMILESCCc1ccc(CNc2cccc(OCC(=O)NC)c2)s1
InChIInChI=1S/C16H20N2O2S/c1-3-14-7-8-15(21-14)10-18-12-5-4-6-13(9-12)20-11-16(19)17-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyDEOKZRKQQRVURR-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(5-ethylfuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62346867
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 102832530
N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
CID 62345185
2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
CID 43693359
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
CID 62129281
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 115652577
N-methyl-2-[3-(2-methylpentylamino)phenoxy]acetamide
CID 43693343
2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720144
2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62347331

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide (CID 62345183) is 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide is CCc1ccc(CNc2cccc(OCC(=O)NC)c2)s1.
What is the InChIKey of 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide?
The InChIKey is DEOKZRKQQRVURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-14-7-8-15(21-14)10-18-12-5-4-6-13(9-12)20-11-16(19)17-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide?
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide has a molecular weight of 304.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide is sourced from PubChem (CID 62345183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).