N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C13H20N2O4S — CID 86985377

IUPACN-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOCCOCCNC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C13H20N2O4S/c1-15(13(17)11-4-3-9-20-11)10-12(16)14-5-6-19-8-7-18-2/h3-4,9H,5-8,10H2,1-2H3,(H,14,16)
InChIKeyIVRYNSFUADMVPG-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.60
Rot. Bonds9

About N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 86985377) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID86985377
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOCCOCCNC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C13H20N2O4S/c1-15(13(17)11-4-3-9-20-11)10-12(16)14-5-6-19-8-7-18-2/h3-4,9H,5-8,10H2,1-2H3,(H,14,16)
InChIKeyIVRYNSFUADMVPG-UHFFFAOYSA-N
XLogP0.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
4-methoxy-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 62478757
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111460860
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 51124684
N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 103862367
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55609041
N-[2-[2-hydroxyethyl(2-methoxyethyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 115772717
methyl N-[4-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845804
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
CID 82354226

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 86985377) is N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is COCCOCCNC(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is IVRYNSFUADMVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-15(13(17)11-4-3-9-20-11)10-12(16)14-5-6-19-8-7-18-2/h3-4,9H,5-8,10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 86985377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).