N-(2-phenylethyl)thiophene-2-carboxamide

C13H13NOS — CID 728650

IUPACN-(2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccs1
InChIInChI=1S/C13H13NOS/c15-13(12-7-4-10-16-12)14-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,14,15)
InChIKeySVHHJXHDSWNWNG-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.72
Rot. Bonds4

About N-(2-phenylethyl)thiophene-2-carboxamide

N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 728650) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID728650
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC NameN-(2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccs1
InChIInChI=1S/C13H13NOS/c15-13(12-7-4-10-16-12)14-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,14,15)
InChIKeySVHHJXHDSWNWNG-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)thiophene-2-carboxamide (CID 728650) is N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)thiophene-2-carboxamide is O=C(NCCc1ccccc1)c1cccs1.
What is the InChIKey of N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is SVHHJXHDSWNWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c15-13(12-7-4-10-16-12)14-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,14,15).
What are the key properties of N-(2-phenylethyl)thiophene-2-carboxamide?
N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 231.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 728650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).