N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

C12H18N2O3S — CID 106843658

IUPACN-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NCCCCO)C(=O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-14(12(17)10-5-4-8-18-10)9-11(16)13-6-2-3-7-15/h4-5,8,15H,2-3,6-7,9H2,1H3,(H,13,16)
InChIKeyXJDBXDNNELOGAO-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.71
Rot. Bonds7

About N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 106843658) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID106843658
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NCCCCO)C(=O)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-14(12(17)10-5-4-8-18-10)9-11(16)13-6-2-3-7-15/h4-5,8,15H,2-3,6-7,9H2,1H3,(H,13,16)
InChIKeyXJDBXDNNELOGAO-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 103862367
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244
N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111460860
N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 86985377
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79252389
N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 95772105
N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55609041
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 51124684
N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
CID 119557038

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 106843658) is N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)NCCCCO)C(=O)c1cccs1.
What is the InChIKey of N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is XJDBXDNNELOGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(12(17)10-5-4-8-18-10)9-11(16)13-6-2-3-7-15/h4-5,8,15H,2-3,6-7,9H2,1H3,(H,13,16).
What are the key properties of N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 106843658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).