3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide

C13H11NO3S — CID 102081930

IUPAC3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sccc1C=O
InChIInChI=1S/C13H11NO3S/c1-17-11-5-3-2-4-10(11)14-13(16)12-9(8-15)6-7-18-12/h2-8H,1H3,(H,14,16)
InChIKeyUNHVIDZNYZCSKL-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.82
Rot. Bonds4

About 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide

3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 102081930) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide
PubChem CID102081930
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sccc1C=O
InChIInChI=1S/C13H11NO3S/c1-17-11-5-3-2-4-10(11)14-13(16)12-9(8-15)6-7-18-12/h2-8H,1H3,(H,14,16)
InChIKeyUNHVIDZNYZCSKL-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
CID 3660329
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16770599
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
3-formyl-2-hydroxy-N-(2-methoxyphenyl)naphthalene-1-carboxamide
CID 21475494
N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 36704821
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
ethane;(2-methoxyphenyl)urea
CID 143063924
N-(2-formylphenyl)-4-methoxybenzamide
CID 585595
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide (CID 102081930) is 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide is COc1ccccc1NC(=O)c1sccc1C=O.
What is the InChIKey of 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is UNHVIDZNYZCSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-17-11-5-3-2-4-10(11)14-13(16)12-9(8-15)6-7-18-12/h2-8H,1H3,(H,14,16).
What are the key properties of 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide?
3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 102081930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).