2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide

C13H15N3O3S — CID 10732482

IUPAC2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide
SMILESCC(c1cc2ccccc2s1)N(O)C(=O)NCC(N)=O
InChIInChI=1S/C13H15N3O3S/c1-8(16(19)13(18)15-7-12(14)17)11-6-9-4-2-3-5-10(9)20-11/h2-6,8,19H,7H2,1H3,(H2,14,17)(H,15,18)
InChIKeyQXWBKEIUWONGOO-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.85
Rot. Bonds4

About 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide

2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide (PubChem CID 10732482) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide.

Molecular Properties

Compound Name2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide
PubChem CID10732482
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide
SMILESCC(c1cc2ccccc2s1)N(O)C(=O)NCC(N)=O
InChIInChI=1S/C13H15N3O3S/c1-8(16(19)13(18)15-7-12(14)17)11-6-9-4-2-3-5-10(9)20-11/h2-6,8,19H,7H2,1H3,(H2,14,17)(H,15,18)
InChIKeyQXWBKEIUWONGOO-UHFFFAOYSA-N
XLogP1.85
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide?
The IUPAC name of 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide (CID 10732482) is 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide.
What is the SMILES notation for 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide?
The canonical SMILES for 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide is CC(c1cc2ccccc2s1)N(O)C(=O)NCC(N)=O.
What is the InChIKey of 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide?
The InChIKey is QXWBKEIUWONGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8(16(19)13(18)15-7-12(14)17)11-6-9-4-2-3-5-10(9)20-11/h2-6,8,19H,7H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide?
2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]amino]acetamide is sourced from PubChem (CID 10732482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).