N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

C17H15NO2S — CID 79692409

IUPACN-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1csc(C#CCO)c1
InChIInChI=1S/C17H15NO2S/c19-8-2-5-16-10-14(11-21-16)17(20)18-15-7-6-12-3-1-4-13(12)9-15/h6-7,9-11,19H,1,3-4,8H2,(H,18,20)
InChIKeyHOPLOHFCDNEDCW-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.83
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (PubChem CID 79692409) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
PubChem CID79692409
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1csc(C#CCO)c1
InChIInChI=1S/C17H15NO2S/c19-8-2-5-16-10-14(11-21-16)17(20)18-15-7-6-12-3-1-4-13(12)9-15/h6-7,9-11,19H,1,3-4,8H2,(H,18,20)
InChIKeyHOPLOHFCDNEDCW-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695922
N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79692605
5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylphenyl)thiophene-3-carboxamide
CID 79693003
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylthiophene-3-carboxamide
CID 107589617
5-(3-aminoprop-1-ynyl)-N-(3,4-dimethylphenyl)thiophene-3-carboxamide
CID 79695981
5-(3-hydroxyprop-1-ynyl)-N-(2,3,4-trifluorophenyl)thiophene-3-carboxamide
CID 79692399
5-(3-hydroxyprop-1-ynyl)-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 79692226
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
CID 79696223
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide
CID 79696851
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
5-(4-hydroxybut-1-ynyl)-N-(4-methoxyphenyl)thiophene-3-carboxamide
CID 79692599
3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2635737

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (CID 79692409) is N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1csc(C#CCO)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The InChIKey is HOPLOHFCDNEDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-8-2-5-16-10-14(11-21-16)17(20)18-15-7-6-12-3-1-4-13(12)9-15/h6-7,9-11,19H,1,3-4,8H2,(H,18,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 79692409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).