N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C13H20N2O3S — CID 79291050

IUPACN-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-13(2,18)9-15(4)11(16)8-14(3)12(17)10-6-5-7-19-10/h5-7,18H,8-9H2,1-4H3
InChIKeyYQLHZMVOMAQFPC-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.05
Rot. Bonds5

About N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 79291050) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID79291050
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-13(2,18)9-15(4)11(16)8-14(3)12(17)10-6-5-7-19-10/h5-7,18H,8-9H2,1-4H3
InChIKeyYQLHZMVOMAQFPC-UHFFFAOYSA-N
XLogP1.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79386751
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119659146
ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
CID 61012379
2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 60829062
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
N-[2-[2-hydroxyethyl(2-methoxyethyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 115772717
N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 115611555
N-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55605579
N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111482176
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 79291050) is N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(C)(C)O)C(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is YQLHZMVOMAQFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,18)9-15(4)11(16)8-14(3)12(17)10-6-5-7-19-10/h5-7,18H,8-9H2,1-4H3.
What are the key properties of N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 79291050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).