N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide

C18H18N2O3S — CID 95625825

IUPACN-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
SMILESN#Cc1cc(-c2ccccc2)sc1NC(=O)COC[C@H]1CCCO1
InChIInChI=1S/C18H18N2O3S/c19-10-14-9-16(13-5-2-1-3-6-13)24-18(14)20-17(21)12-22-11-15-7-4-8-23-15/h1-3,5-6,9,15H,4,7-8,11-12H2,(H,20,21)/t15-/m1/s1
InChIKeyCXZKUKRKRQAOPI-OAHLLOKOSA-N
MW342.42 g/mol
LogP3.42
Rot. Bonds6

About N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide

N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide (PubChem CID 95625825) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
PubChem CID95625825
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
SMILESN#Cc1cc(-c2ccccc2)sc1NC(=O)COC[C@H]1CCCO1
InChIInChI=1S/C18H18N2O3S/c19-10-14-9-16(13-5-2-1-3-6-13)24-18(14)20-17(21)12-22-11-15-7-4-8-23-15/h1-3,5-6,9,15H,4,7-8,11-12H2,(H,20,21)/t15-/m1/s1
InChIKeyCXZKUKRKRQAOPI-OAHLLOKOSA-N
XLogP3.42
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide 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-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The IUPAC name of N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide (CID 95625825) is N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The canonical SMILES for N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide is N#Cc1cc(-c2ccccc2)sc1NC(=O)COC[C@H]1CCCO1.
What is the InChIKey of N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The InChIKey is CXZKUKRKRQAOPI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N2O3S/c19-10-14-9-16(13-5-2-1-3-6-13)24-18(14)20-17(21)12-22-11-15-7-4-8-23-15/h1-3,5-6,9,15H,4,7-8,11-12H2,(H,20,21)/t15-/m1/s1.
What are the key properties of N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 95625825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).