N-(3-cyanothiophen-2-yl)-3-phenylpropanamide

C14H12N2OS — CID 2137683

IUPACN-(3-cyanothiophen-2-yl)-3-phenylpropanamide
SMILESN#Cc1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C14H12N2OS/c15-10-12-8-9-18-14(12)16-13(17)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyUTEZCAWRTZWNGV-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.19
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-3-phenylpropanamide

N-(3-cyanothiophen-2-yl)-3-phenylpropanamide (PubChem CID 2137683) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-phenylpropanamide
PubChem CID2137683
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(3-cyanothiophen-2-yl)-3-phenylpropanamide
SMILESN#Cc1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C14H12N2OS/c15-10-12-8-9-18-14(12)16-13(17)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyUTEZCAWRTZWNGV-UHFFFAOYSA-N
XLogP3.19
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-phenylpropanamide (CID 2137683) is N-(3-cyanothiophen-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-phenylpropanamide is N#Cc1ccsc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-phenylpropanamide?
The InChIKey is UTEZCAWRTZWNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-10-12-8-9-18-14(12)16-13(17)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,16,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-phenylpropanamide?
N-(3-cyanothiophen-2-yl)-3-phenylpropanamide has a molecular weight of 256.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 2137683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).