4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide

C19H21NO2S — CID 9116198

IUPAC4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1cccs1
InChIInChI=1S/C19H21NO2S/c21-18(9-10-19(22)20-13-17-6-3-11-23-17)16-8-7-14-4-1-2-5-15(14)12-16/h3,6-8,11-12H,1-2,4-5,9-10,13H2,(H,20,22)
InChIKeyXHXYNCXMZDPXBF-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.91
Rot. Bonds6

About 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide

4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 9116198) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID9116198
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1cccs1
InChIInChI=1S/C19H21NO2S/c21-18(9-10-19(22)20-13-17-6-3-11-23-17)16-8-7-14-4-1-2-5-15(14)12-16/h3,6-8,11-12H,1-2,4-5,9-10,13H2,(H,20,22)
InChIKeyXHXYNCXMZDPXBF-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide
CID 9479209
N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 31110441
4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 56557998
ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate
CID 108807177
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 34557995
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 9116198) is 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide is O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1cccs1.
What is the InChIKey of 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is XHXYNCXMZDPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c21-18(9-10-19(22)20-13-17-6-3-11-23-17)16-8-7-14-4-1-2-5-15(14)12-16/h3,6-8,11-12H,1-2,4-5,9-10,13H2,(H,20,22).
What are the key properties of 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide?
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 327.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 9116198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).