N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide

C12H20N2OS — CID 119627644

IUPACN-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC(C)(C)N)cc1C
InChIInChI=1S/C12H20N2OS/c1-5-9-8(2)6-10(16-9)11(15)14-7-12(3,4)13/h6H,5,7,13H2,1-4H3,(H,14,15)
InChIKeyGLOLDVBQVBVPIC-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.09
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide

N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 119627644) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID119627644
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC(C)(C)N)cc1C
InChIInChI=1S/C12H20N2OS/c1-5-9-8(2)6-10(16-9)11(15)14-7-12(3,4)13/h6H,5,7,13H2,1-4H3,(H,14,15)
InChIKeyGLOLDVBQVBVPIC-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide (CID 119627644) is N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NCC(C)(C)N)cc1C.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is GLOLDVBQVBVPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-5-9-8(2)6-10(16-9)11(15)14-7-12(3,4)13/h6H,5,7,13H2,1-4H3,(H,14,15).
What are the key properties of N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide?
N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 119627644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).