N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide

C14H11FN2OS — CID 2375208

IUPACN-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide
SMILESN#CCCN(C(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C14H11FN2OS/c15-11-5-1-2-6-12(11)17(9-4-8-16)14(18)13-7-3-10-19-13/h1-3,5-7,10H,4,9H2
InChIKeyHDGDZFJXNLGUCH-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.45
Rot. Bonds4

About N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide

N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide (PubChem CID 2375208) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide
PubChem CID2375208
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC NameN-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide
SMILESN#CCCN(C(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C14H11FN2OS/c15-11-5-1-2-6-12(11)17(9-4-8-16)14(18)13-7-3-10-19-13/h1-3,5-7,10H,4,9H2
InChIKeyHDGDZFJXNLGUCH-UHFFFAOYSA-N
XLogP3.45
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide (CID 2375208) is N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide is N#CCCN(C(=O)c1cccs1)c1ccccc1F.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is HDGDZFJXNLGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-11-5-1-2-6-12(11)17(9-4-8-16)14(18)13-7-3-10-19-13/h1-3,5-7,10H,4,9H2.
What are the key properties of N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide?
N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2375208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).