N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide

C12H18N2O3S — CID 113476087

IUPACN-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1cccs1)C(C)(C)CO
InChIInChI=1S/C12H18N2O3S/c1-12(2,8-15)14(3)10(16)7-13-11(17)9-5-4-6-18-9/h4-6,15H,7-8H2,1-3H3,(H,13,17)
InChIKeyWEAWDGOUJHEQIY-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.71
Rot. Bonds5

About N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 113476087) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID113476087
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1cccs1)C(C)(C)CO
InChIInChI=1S/C12H18N2O3S/c1-12(2,8-15)14(3)10(16)7-13-11(17)9-5-4-6-18-9/h4-6,15H,7-8H2,1-3H3,(H,13,17)
InChIKeyWEAWDGOUJHEQIY-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60653313
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide
CID 103843642
N-[2-(N-[2-(tert-butylamino)-2-oxoethyl]-4-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215649
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245
N-[2-(N-[2-(tert-butylamino)-2-oxoethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215630
N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 43577077
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3215646

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 113476087) is N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide is CN(C(=O)CNC(=O)c1cccs1)C(C)(C)CO.
What is the InChIKey of N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WEAWDGOUJHEQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,8-15)14(3)10(16)7-13-11(17)9-5-4-6-18-9/h4-6,15H,7-8H2,1-3H3,(H,13,17).
What are the key properties of N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113476087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).