N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide

C15H15NO2S — CID 71782125

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1ccsc1
InChIInChI=1S/C15H15NO2S/c17-14(12-6-8-19-9-12)16-10-15(18)7-5-11-3-1-2-4-13(11)15/h1-4,6,8-9,18H,5,7,10H2,(H,16,17)
InChIKeyMNBAYXKPUWSTIM-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.31
Rot. Bonds3

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide (PubChem CID 71782125) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide
PubChem CID71782125
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1ccsc1
InChIInChI=1S/C15H15NO2S/c17-14(12-6-8-19-9-12)16-10-15(18)7-5-11-3-1-2-4-13(11)15/h1-4,6,8-9,18H,5,7,10H2,(H,16,17)
InChIKeyMNBAYXKPUWSTIM-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
CID 56764199
N-[(R)-2-cyclopropyl-2-hydroxy-2-(2-thienyl)ethyl]o-(trifluoromethyl)benzamide
CID 95982745
N-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)thiophene-2-carboxamide
CID 71781802
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)thiophene-2-carboxamide
CID 71782124
N-[(1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]-2-(methylsulfanyl)benzamide
CID 71782139
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 71788738
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]thiophene-3-carboxamide
CID 91631267
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl]-3-thenamide
CID 95982804
N-{[(S)-1-hydroxy-1-indanyl]methyl}1-(2-thienyl)cyclopentanecarboxamide
CID 95983130
N-[(S)-3-hydroxy-3-phenylpropyl]-3-thenamide
CID 96568332

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide (CID 71782125) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide is O=C(NCC1(O)CCc2ccccc21)c1ccsc1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide?
The InChIKey is MNBAYXKPUWSTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-14(12-6-8-19-9-12)16-10-15(18)7-5-11-3-1-2-4-13(11)15/h1-4,6,8-9,18H,5,7,10H2,(H,16,17).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 71782125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).