2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide

C13H14N2O3S — CID 54890942

IUPAC2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCc1cccs1)c1ccc(O)c(O)c1
InChIInChI=1S/C13H14N2O3S/c14-13(18)12(15-7-9-2-1-5-19-9)8-3-4-10(16)11(17)6-8/h1-6,12,15-17H,7H2,(H2,14,18)
InChIKeyGFFJUALDLGPAER-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.48
Rot. Bonds5

About 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide

2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide (PubChem CID 54890942) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
PubChem CID54890942
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCc1cccs1)c1ccc(O)c(O)c1
InChIInChI=1S/C13H14N2O3S/c14-13(18)12(15-7-9-2-1-5-19-9)8-3-4-10(16)11(17)6-8/h1-6,12,15-17H,7H2,(H2,14,18)
InChIKeyGFFJUALDLGPAER-UHFFFAOYSA-N
XLogP1.48
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66480373
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891569
2-(4-cyclopropylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 79983660
2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 114453595
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891133
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66478987
(2S)-2-(thiophen-2-ylmethylamino)butanediamide
CID 151018990
ethyl 2-(4-fluoro-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 62121692
2-(2-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 60997221
2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
CID 61347911
2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66117109
ethyl 2-(3-bromo-4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 83233271

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide (CID 54890942) is 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide is NC(=O)C(NCc1cccs1)c1ccc(O)c(O)c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The InChIKey is GFFJUALDLGPAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-13(18)12(15-7-9-2-1-5-19-9)8-3-4-10(16)11(17)6-8/h1-6,12,15-17H,7H2,(H2,14,18).
What are the key properties of 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide has a molecular weight of 278.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 54890942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).