N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide

C18H17NO2S — CID 71983627

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)C1CSc2ccccc21
InChIInChI=1S/C18H17NO2S/c20-15-9-11-5-1-2-6-12(11)17(15)19-18(21)14-10-22-16-8-4-3-7-13(14)16/h1-8,14-15,17,20H,9-10H2,(H,19,21)
InChIKeyGYHDPEZHTALALZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.65
Rot. Bonds2

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 71983627) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID71983627
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)C1CSc2ccccc21
InChIInChI=1S/C18H17NO2S/c20-15-9-11-5-1-2-6-12(11)17(15)19-18(21)14-10-22-16-8-4-3-7-13(14)16/h1-8,14-15,17,20H,9-10H2,(H,19,21)
InChIKeyGYHDPEZHTALALZ-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213384
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide
CID 102738971
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 103860628
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103863044
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
4-(2,3-dihydro-1-benzothiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 79214122
N-(azepan-3-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211900
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107221860

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 71983627) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(NC1c2ccccc2CC1O)C1CSc2ccccc21.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is GYHDPEZHTALALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-15-9-11-5-1-2-6-12(11)17(15)19-18(21)14-10-22-16-8-4-3-7-13(14)16/h1-8,14-15,17,20H,9-10H2,(H,19,21).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 71983627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).