2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide

C18H12N2OS — CID 958150

IUPAC2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide
SMILESN#CC(=Cc1cccs1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H12N2OS/c19-12-14(11-15-7-4-10-22-15)18(21)20-17-9-3-6-13-5-1-2-8-16(13)17/h1-11H,(H,20,21)
InChIKeyUYHMCHWNAQYCFI-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.45
Rot. Bonds3

About 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide

2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 958150) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID958150
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide
SMILESN#CC(=Cc1cccs1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H12N2OS/c19-12-14(11-15-7-4-10-22-15)18(21)20-17-9-3-6-13-5-1-2-8-16(13)17/h1-11H,(H,20,21)
InChIKeyUYHMCHWNAQYCFI-UHFFFAOYSA-N
XLogP4.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-N-(2-iodophenyl)-3-thiophen-2-ylprop-2-enamide
CID 19171871
3-anthracen-9-yl-2-cyano-N-naphthalen-1-ylprop-2-enamide
CID 3936852
(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 7559871
(E)-2-cyano-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 2362469
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
CID 2688662
(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 7967270
2-cyano-N-(3-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 958696
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 7912255
(E)-2-cyano-N-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 10739641
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2688672

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide (CID 958150) is 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide is N#CC(=Cc1cccs1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is UYHMCHWNAQYCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c19-12-14(11-15-7-4-10-22-15)18(21)20-17-9-3-6-13-5-1-2-8-16(13)17/h1-11H,(H,20,21).
What are the key properties of 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide?
2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 304.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 958150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).