N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C17H19NO2S — CID 106436158

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)C1CCc2ccccc2C1
InChIInChI=1S/C17H19NO2S/c19-16(15-7-8-21-11-15)10-18-17(20)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,7-8,11,14,16,19H,5-6,9-10H2,(H,18,20)
InChIKeyIWJSMLMNERWNPO-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.70
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 106436158) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID106436158
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)C1CCc2ccccc2C1
InChIInChI=1S/C17H19NO2S/c19-16(15-7-8-21-11-15)10-18-17(20)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,7-8,11,14,16,19H,5-6,9-10H2,(H,18,20)
InChIKeyIWJSMLMNERWNPO-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 111478151
(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 106435475
N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127313
5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 114188481
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 103686128
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 139768814
trans-(1S,2S)-N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97085312
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307029
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 106436158) is N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCC(O)c1ccsc1)C1CCc2ccccc2C1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is IWJSMLMNERWNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-16(15-7-8-21-11-15)10-18-17(20)14-6-5-12-3-1-2-4-13(12)9-14/h1-4,7-8,11,14,16,19H,5-6,9-10H2,(H,18,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 106436158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).