2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide

C15H18N2O2S — CID 62840445

IUPAC2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide
SMILESCC(NCc1ccc(OCC(N)=O)cc1)c1ccsc1
InChIInChI=1S/C15H18N2O2S/c1-11(13-6-7-20-10-13)17-8-12-2-4-14(5-3-12)19-9-15(16)18/h2-7,10-11,17H,8-9H2,1H3,(H2,16,18)
InChIKeyOTZLGWYSWYOMFP-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide

2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide (PubChem CID 62840445) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide
PubChem CID62840445
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide
SMILESCC(NCc1ccc(OCC(N)=O)cc1)c1ccsc1
InChIInChI=1S/C15H18N2O2S/c1-11(13-6-7-20-10-13)17-8-12-2-4-14(5-3-12)19-9-15(16)18/h2-7,10-11,17H,8-9H2,1H3,(H2,16,18)
InChIKeyOTZLGWYSWYOMFP-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
CID 43181000
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide
CID 63091960
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide
CID 75382887
2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
CID 102609863
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
4-[(1-thiophen-3-ylethylamino)methyl]benzene-1,2-diol
CID 62840100
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
CID 103729306
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide
CID 115644676

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide (CID 62840445) is 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide is CC(NCc1ccc(OCC(N)=O)cc1)c1ccsc1.
What is the InChIKey of 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide?
The InChIKey is OTZLGWYSWYOMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(13-6-7-20-10-13)17-8-12-2-4-14(5-3-12)19-9-15(16)18/h2-7,10-11,17H,8-9H2,1H3,(H2,16,18).
What are the key properties of 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide?
2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 62840445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).