2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide

C10H12N2O2S — CID 112673301

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide
SMILESNC(=O)CONC1CSc2ccccc21
InChIInChI=1S/C10H12N2O2S/c11-10(13)5-14-12-8-6-15-9-4-2-1-3-7(8)9/h1-4,8,12H,5-6H2,(H2,11,13)
InChIKeyMXFXMLVNXHSTPS-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.84
Rot. Bonds4

About 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide

2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide (PubChem CID 112673301) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide
PubChem CID112673301
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide
SMILESNC(=O)CONC1CSc2ccccc21
InChIInChI=1S/C10H12N2O2S/c11-10(13)5-14-12-8-6-15-9-4-2-1-3-7(8)9/h1-4,8,12H,5-6H2,(H2,11,13)
InChIKeyMXFXMLVNXHSTPS-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide
CID 112673304
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
3-(2,3-dihydro-1-benzothiophen-3-ylcarbamoylamino)propanoic acid
CID 122002704
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 81300721
1-[4-(2,3-dihydro-1-benzothiophen-3-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 81338934
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide
CID 113424278
(3S)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]butanamide
CID 40953266
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211877

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide (CID 112673301) is 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide is NC(=O)CONC1CSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide?
The InChIKey is MXFXMLVNXHSTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-10(13)5-14-12-8-6-15-9-4-2-1-3-7(8)9/h1-4,8,12H,5-6H2,(H2,11,13).
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide?
2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide has a molecular weight of 224.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylamino)oxyacetamide is sourced from PubChem (CID 112673301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).