N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

C15H19NO2S — CID 79213384

IUPACN-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCCCC1O)C1CSc2ccccc21
InChIInChI=1S/C15H19NO2S/c17-13-7-3-2-6-12(13)16-15(18)11-9-19-14-8-4-1-5-10(11)14/h1,4-5,8,11-13,17H,2-3,6-7,9H2,(H,16,18)
InChIKeyMVDPOFNPPUFQNY-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.30
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 79213384) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID79213384
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCCCC1O)C1CSc2ccccc21
InChIInChI=1S/C15H19NO2S/c17-13-7-3-2-6-12(13)16-15(18)11-9-19-14-8-4-1-5-10(11)14/h1,4-5,8,11-13,17H,2-3,6-7,9H2,(H,16,18)
InChIKeyMVDPOFNPPUFQNY-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 71983627
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-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62361076
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 111427418
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
N-prop-2-ynyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993620
N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211894
(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 95771455

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 79213384) is N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(NC1CCCCC1O)C1CSc2ccccc21.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is MVDPOFNPPUFQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-13-7-3-2-6-12(13)16-15(18)11-9-19-14-8-4-1-5-10(11)14/h1,4-5,8,11-13,17H,2-3,6-7,9H2,(H,16,18).
What are the key properties of N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 79213384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).