2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide

C15H18N2O2S — CID 65241508

IUPAC2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)COc2cccc(N)c2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-10-6-14(20-11(10)2)8-17-15(18)9-19-13-5-3-4-12(16)7-13/h3-7H,8-9,16H2,1-2H3,(H,17,18)
InChIKeyCEALORVTIJENRA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.64
Rot. Bonds5

About 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide

2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide (PubChem CID 65241508) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide
PubChem CID65241508
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)COc2cccc(N)c2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-10-6-14(20-11(10)2)8-17-15(18)9-19-13-5-3-4-12(16)7-13/h3-7H,8-9,16H2,1-2H3,(H,17,18)
InChIKeyCEALORVTIJENRA-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 61283448
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
CID 103459940
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
CID 61140673
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 79038909
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61281777
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide (CID 65241508) is 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide is Cc1cc(CNC(=O)COc2cccc(N)c2)sc1C.
What is the InChIKey of 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide?
The InChIKey is CEALORVTIJENRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-6-14(20-11(10)2)8-17-15(18)9-19-13-5-3-4-12(16)7-13/h3-7H,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide?
2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 65241508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).