2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide

C13H14N2O2S — CID 43711048

IUPAC2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C13H14N2O2S/c14-13(16)9-17-11-5-3-10(4-6-11)15-8-12-2-1-7-18-12/h1-7,15H,8-9H2,(H2,14,16)
InChIKeySRCZGYFWRHSPQF-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.22
Rot. Bonds6

About 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide

2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide (PubChem CID 43711048) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
PubChem CID43711048
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C13H14N2O2S/c14-13(16)9-17-11-5-3-10(4-6-11)15-8-12-2-1-7-18-12/h1-7,15H,8-9H2,(H2,14,16)
InChIKeySRCZGYFWRHSPQF-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
4-hexoxy-N-(thiophen-2-ylmethyl)aniline
CID 54798776
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43175462
5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide
CID 28711815
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 61390811
N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide
CID 6340239

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide?
The IUPAC name of 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide (CID 43711048) is 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide?
The canonical SMILES for 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide is NC(=O)COc1ccc(NCc2cccs2)cc1.
What is the InChIKey of 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide?
The InChIKey is SRCZGYFWRHSPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-13(16)9-17-11-5-3-10(4-6-11)15-8-12-2-1-7-18-12/h1-7,15H,8-9H2,(H2,14,16).
What are the key properties of 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide?
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide has a molecular weight of 262.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide is sourced from PubChem (CID 43711048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).