N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide

C17H19NO2S — CID 56791666

IUPACN-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1cccs1)C1CCCO1
InChIInChI=1S/C17H19NO2S/c19-17(15-8-4-10-20-15)18-14(16-9-5-11-21-16)12-13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H,18,19)
InChIKeyFKZMZRCHSFSZFN-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.33
Rot. Bonds5

About N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide

N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide (PubChem CID 56791666) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide
PubChem CID56791666
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1cccs1)C1CCCO1
InChIInChI=1S/C17H19NO2S/c19-17(15-8-4-10-20-15)18-14(16-9-5-11-21-16)12-13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H,18,19)
InChIKeyFKZMZRCHSFSZFN-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide (CID 56791666) is N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide is O=C(NC(Cc1ccccc1)c1cccs1)C1CCCO1.
What is the InChIKey of N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide?
The InChIKey is FKZMZRCHSFSZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17(15-8-4-10-20-15)18-14(16-9-5-11-21-16)12-13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H,18,19).
What are the key properties of N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide?
N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 56791666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).