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

C12H20N2O2S — CID 79384871

IUPAC4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C12H20N2O2S/c1-5-14(7-12(3,4)16)11(15)10-6-9(13)8(2)17-10/h6,16H,5,7,13H2,1-4H3
InChIKeyRWBXNBUAADCPTM-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.87
Rot. Bonds4

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

4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide (PubChem CID 79384871) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
PubChem CID79384871
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C12H20N2O2S/c1-5-14(7-12(3,4)16)11(15)10-6-9(13)8(2)17-10/h6,16H,5,7,13H2,1-4H3
InChIKeyRWBXNBUAADCPTM-UHFFFAOYSA-N
XLogP1.87
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide (CID 79384871) is 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide is CCN(CC(C)(C)O)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide?
The InChIKey is RWBXNBUAADCPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-14(7-12(3,4)16)11(15)10-6-9(13)8(2)17-10/h6,16H,5,7,13H2,1-4H3.
What are the key properties of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide?
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 79384871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).