4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide

C17H17NO2S — CID 110677737

IUPAC4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C1CC(C(=O)NCCc2cccs2)Cc2ccccc21
InChIInChI=1S/C17H17NO2S/c19-16-11-13(10-12-4-1-2-6-15(12)16)17(20)18-8-7-14-5-3-9-21-14/h1-6,9,13H,7-8,10-11H2,(H,18,20)
InChIKeyFZXGFGIECIARIE-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.85
Rot. Bonds4

About 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide

4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 110677737) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide
PubChem CID110677737
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C1CC(C(=O)NCCc2cccs2)Cc2ccccc21
InChIInChI=1S/C17H17NO2S/c19-16-11-13(10-12-4-1-2-6-15(12)16)17(20)18-8-7-14-5-3-9-21-14/h1-6,9,13H,7-8,10-11H2,(H,18,20)
InChIKeyFZXGFGIECIARIE-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677744
N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677779
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270428
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3496710
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
2-[(4-methoxybenzoyl)amino]-7-oxo-N-(2-thiophen-2-ylethyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 45199691
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 93017466
(3S)-2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 33119829

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide (CID 110677737) is 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide is O=C1CC(C(=O)NCCc2cccs2)Cc2ccccc21.
What is the InChIKey of 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is FZXGFGIECIARIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-16-11-13(10-12-4-1-2-6-15(12)16)17(20)18-8-7-14-5-3-9-21-14/h1-6,9,13H,7-8,10-11H2,(H,18,20).
What are the key properties of 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide?
4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 299.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 110677737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).