N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide

C12H13NO2S2 — CID 71690068

IUPACN-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccs2)cs1
InChIInChI=1S/C12H13NO2S2/c1-15-5-4-13-12(14)11-7-9(8-17-11)10-3-2-6-16-10/h2-3,6-8H,4-5H2,1H3,(H,13,14)
InChIKeyMNDHSYNSBBGEJF-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.85
Rot. Bonds5

About N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide

N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide (PubChem CID 71690068) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
PubChem CID71690068
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC NameN-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccs2)cs1
InChIInChI=1S/C12H13NO2S2/c1-15-5-4-13-12(14)11-7-9(8-17-11)10-3-2-6-16-10/h2-3,6-8H,4-5H2,1H3,(H,13,14)
InChIKeyMNDHSYNSBBGEJF-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690078
N-cyclopentyl-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690066
N-[3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 110941288
1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630690
N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690073
4-[(2,6-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19488686
methyl 5-[2-(3-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
CID 69490500
N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209
methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
CID 69490597
5-chloro-N-(2-methoxyethyl)-3-thiophen-2-yl-1H-indole-2-carboxamide
CID 174358730
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906303

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide (CID 71690068) is N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide is COCCNC(=O)c1cc(-c2cccs2)cs1.
What is the InChIKey of N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide?
The InChIKey is MNDHSYNSBBGEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-15-5-4-13-12(14)11-7-9(8-17-11)10-3-2-6-16-10/h2-3,6-8H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide?
N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 71690068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).