2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide

C12H20N2OS — CID 61336100

IUPAC2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide
SMILESCCc1ccc(C(C)NC(C)(C)C(N)=O)s1
InChIInChI=1S/C12H20N2OS/c1-5-9-6-7-10(16-9)8(2)14-12(3,4)11(13)15/h6-8,14H,5H2,1-4H3,(H2,13,15)
InChIKeyPKQXHUXKFTWDNI-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide

2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide (PubChem CID 61336100) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide
PubChem CID61336100
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide
SMILESCCc1ccc(C(C)NC(C)(C)C(N)=O)s1
InChIInChI=1S/C12H20N2OS/c1-5-9-6-7-10(16-9)8(2)14-12(3,4)11(13)15/h6-8,14H,5H2,1-4H3,(H2,13,15)
InChIKeyPKQXHUXKFTWDNI-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide?
The IUPAC name of 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide (CID 61336100) is 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide?
The canonical SMILES for 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide is CCc1ccc(C(C)NC(C)(C)C(N)=O)s1.
What is the InChIKey of 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide?
The InChIKey is PKQXHUXKFTWDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-5-9-6-7-10(16-9)8(2)14-12(3,4)11(13)15/h6-8,14H,5H2,1-4H3,(H2,13,15).
What are the key properties of 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide?
2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide has a molecular weight of 240.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide is sourced from PubChem (CID 61336100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).