2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide

C12H16N2OS — CID 65244056

IUPAC2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)C#N)sc1C
InChIInChI=1S/C12H16N2OS/c1-8-5-10(16-9(8)2)6-14-11(15)12(3,4)7-13/h5H,6H2,1-4H3,(H,14,15)
InChIKeyGMGFNDFYWIWQJX-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.53
Rot. Bonds3

About 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide

2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide (PubChem CID 65244056) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide
PubChem CID65244056
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)C#N)sc1C
InChIInChI=1S/C12H16N2OS/c1-8-5-10(16-9(8)2)6-14-11(15)12(3,4)7-13/h5H,6H2,1-4H3,(H,14,15)
InChIKeyGMGFNDFYWIWQJX-UHFFFAOYSA-N
XLogP2.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide (CID 65244056) is 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide is Cc1cc(CNC(=O)C(C)(C)C#N)sc1C.
What is the InChIKey of 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide?
The InChIKey is GMGFNDFYWIWQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-5-10(16-9(8)2)6-14-11(15)12(3,4)7-13/h5H,6H2,1-4H3,(H,14,15).
What are the key properties of 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide?
2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide has a molecular weight of 236.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 65244056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).