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

C15H14N2OS — CID 2970457

IUPACN-(3-cyanothiophen-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1sccc1C#N)c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-2-13(11-6-4-3-5-7-11)14(18)17-15-12(10-16)8-9-19-15/h3-9,13H,2H2,1H3,(H,17,18)
InChIKeySMTHXSJMONUFKU-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.75
Rot. Bonds4

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

N-(3-cyanothiophen-2-yl)-2-phenylbutanamide (PubChem CID 2970457) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-phenylbutanamide
PubChem CID2970457
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(3-cyanothiophen-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1sccc1C#N)c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-2-13(11-6-4-3-5-7-11)14(18)17-15-12(10-16)8-9-19-15/h3-9,13H,2H2,1H3,(H,17,18)
InChIKeySMTHXSJMONUFKU-UHFFFAOYSA-N
XLogP3.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.75
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)-2-phenylbutanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-phenylbutanamide (CID 2970457) is N-(3-cyanothiophen-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-phenylbutanamide is CCC(C(=O)Nc1sccc1C#N)c1ccccc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-phenylbutanamide?
The InChIKey is SMTHXSJMONUFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-13(11-6-4-3-5-7-11)14(18)17-15-12(10-16)8-9-19-15/h3-9,13H,2H2,1H3,(H,17,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-phenylbutanamide?
N-(3-cyanothiophen-2-yl)-2-phenylbutanamide has a molecular weight of 270.36 g/mol, XLogP of 3.75, 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)-2-phenylbutanamide is sourced from PubChem (CID 2970457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).