N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide

C13H21NO2S — CID 97417360

IUPACN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCO[C@@H](CNC(=O)C(C)(C)C)c1ccc(C)s1
InChIInChI=1S/C13H21NO2S/c1-9-6-7-11(17-9)10(16-5)8-14-12(15)13(2,3)4/h6-7,10H,8H2,1-5H3,(H,14,15)/t10-/m0/s1
InChIKeyLKKGQYULKKRMSO-JTQLQIEISA-N
MW255.38 g/mol
LogP2.91
Rot. Bonds4

About N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide

N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 97417360) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID97417360
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCO[C@@H](CNC(=O)C(C)(C)C)c1ccc(C)s1
InChIInChI=1S/C13H21NO2S/c1-9-6-7-11(17-9)10(16-5)8-14-12(15)13(2,3)4/h6-7,10H,8H2,1-5H3,(H,14,15)/t10-/m0/s1
InChIKeyLKKGQYULKKRMSO-JTQLQIEISA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide (CID 97417360) is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide is CO[C@@H](CNC(=O)C(C)(C)C)c1ccc(C)s1.
What is the InChIKey of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is LKKGQYULKKRMSO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9-6-7-11(17-9)10(16-5)8-14-12(15)13(2,3)4/h6-7,10H,8H2,1-5H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide?
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 255.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 97417360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).