N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide

C15H17NO3S — CID 47311026

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
SMILESCOCCOc1cc(C)ccc1NC(=O)c1cccs1
InChIInChI=1S/C15H17NO3S/c1-11-5-6-12(13(10-11)19-8-7-18-2)16-15(17)14-4-3-9-20-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyIUPPHECEUFFDOW-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide

N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide (PubChem CID 47311026) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
PubChem CID47311026
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
SMILESCOCCOc1cc(C)ccc1NC(=O)c1cccs1
InChIInChI=1S/C15H17NO3S/c1-11-5-6-12(13(10-11)19-8-7-18-2)16-15(17)14-4-3-9-20-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyIUPPHECEUFFDOW-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.33
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-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 86815046
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 3161498
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
CID 55891092
2-(aminomethyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 119726889
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
CID 863526
5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685047
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide (CID 47311026) is N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide is COCCOc1cc(C)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide?
The InChIKey is IUPPHECEUFFDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-5-6-12(13(10-11)19-8-7-18-2)16-15(17)14-4-3-9-20-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide?
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 47311026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).