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

C15H15NO2S — CID 71782124

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1cccs1
InChIInChI=1S/C15H15NO2S/c17-14(13-6-3-9-19-13)16-10-15(18)8-7-11-4-1-2-5-12(11)15/h1-6,9,18H,7-8,10H2,(H,16,17)
InChIKeyNTFMHNCBWBDJPS-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.31
Rot. Bonds3

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

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide (PubChem CID 71782124) 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-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
PubChem CID71782124
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1cccs1
InChIInChI=1S/C15H15NO2S/c17-14(13-6-3-9-19-13)16-10-15(18)8-7-11-4-1-2-5-12(11)15/h1-6,9,18H,7-8,10H2,(H,16,17)
InChIKeyNTFMHNCBWBDJPS-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-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782161
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42265711
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]adamantane-1-carboxamide
CID 90499031
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
CID 71782153

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide (CID 71782124) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide is O=C(NCC1(O)CCc2ccccc21)c1cccs1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide?
The InChIKey is NTFMHNCBWBDJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-14(13-6-3-9-19-13)16-10-15(18)8-7-11-4-1-2-5-12(11)15/h1-6,9,18H,7-8,10H2,(H,16,17).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 71782124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).