N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide

C17H16N2O3S2 — CID 91630920

IUPACN'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC(O)c1csc2ccccc12
InChIInChI=1S/C17H16N2O3S2/c20-14(13-10-24-15-6-2-1-5-12(13)15)9-19-17(22)16(21)18-8-11-4-3-7-23-11/h1-7,10,14,20H,8-9H2,(H,18,21)(H,19,22)
InChIKeyXGYXCJDNJYPRNX-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.43
Rot. Bonds5

About N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 91630920) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID91630920
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC(O)c1csc2ccccc12
InChIInChI=1S/C17H16N2O3S2/c20-14(13-10-24-15-6-2-1-5-12(13)15)9-19-17(22)16(21)18-8-11-4-3-7-23-11/h1-7,10,14,20H,8-9H2,(H,18,21)(H,19,22)
InChIKeyXGYXCJDNJYPRNX-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 91630920) is N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)NCC(O)c1csc2ccccc12.
What is the InChIKey of N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is XGYXCJDNJYPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c20-14(13-10-24-15-6-2-1-5-12(13)15)9-19-17(22)16(21)18-8-11-4-3-7-23-11/h1-7,10,14,20H,8-9H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 360.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 91630920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).