2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide

C15H18N2O2S — CID 43711136

IUPAC2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
SMILESCc1ccc(C(C)Nc2ccc(OCC(N)=O)cc2)s1
InChIInChI=1S/C15H18N2O2S/c1-10-3-8-14(20-10)11(2)17-12-4-6-13(7-5-12)19-9-15(16)18/h3-8,11,17H,9H2,1-2H3,(H2,16,18)
InChIKeyALZBGGPTLHEVAK-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.09
Rot. Bonds6

About 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide

2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide (PubChem CID 43711136) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
PubChem CID43711136
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
SMILESCc1ccc(C(C)Nc2ccc(OCC(N)=O)cc2)s1
InChIInChI=1S/C15H18N2O2S/c1-10-3-8-14(20-10)11(2)17-12-4-6-13(7-5-12)19-9-15(16)18/h3-8,11,17H,9H2,1-2H3,(H2,16,18)
InChIKeyALZBGGPTLHEVAK-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.09
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

methyl 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetate
CID 43676831
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
CID 43106636
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
CID 43711075
1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
CID 43744393
2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
CID 104652472
N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60932015
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963
2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
CID 54898078
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
2-[4-(1-cyclopropylpropylamino)phenoxy]acetamide
CID 64918188

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide (CID 43711136) is 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide is Cc1ccc(C(C)Nc2ccc(OCC(N)=O)cc2)s1.
What is the InChIKey of 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide?
The InChIKey is ALZBGGPTLHEVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-3-8-14(20-10)11(2)17-12-4-6-13(7-5-12)19-9-15(16)18/h3-8,11,17H,9H2,1-2H3,(H2,16,18).
What are the key properties of 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide?
2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide has a molecular weight of 290.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide is sourced from PubChem (CID 43711136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).