5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide

C17H19NO2S — CID 61367402

IUPAC5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2c3ccccc3CC2O)cc1C
InChIInChI=1S/C17H19NO2S/c1-3-14-10(2)8-15(21-14)17(20)18-16-12-7-5-4-6-11(12)9-13(16)19/h4-8,13,16,19H,3,9H2,1-2H3,(H,18,20)
InChIKeySBFZBCRYILXKDF-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.01
Rot. Bonds3

About 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide

5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide (PubChem CID 61367402) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide
PubChem CID61367402
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2c3ccccc3CC2O)cc1C
InChIInChI=1S/C17H19NO2S/c1-3-14-10(2)8-15(21-14)17(20)18-16-12-7-5-4-6-11(12)9-13(16)19/h4-8,13,16,19H,3,9H2,1-2H3,(H,18,20)
InChIKeySBFZBCRYILXKDF-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 61367590
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103860624
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide
CID 114312817
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide (CID 61367402) is 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NC2c3ccccc3CC2O)cc1C.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is SBFZBCRYILXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-14-10(2)8-15(21-14)17(20)18-16-12-7-5-4-6-11(12)9-13(16)19/h4-8,13,16,19H,3,9H2,1-2H3,(H,18,20).
What are the key properties of 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide?
5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 61367402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).