4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide

C19H21NO2S — CID 31110441

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
SMILESC[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C19H21NO2S/c1-13(18-6-3-11-23-18)20-19(22)10-9-17(21)16-8-7-14-4-2-5-15(14)12-16/h3,6-8,11-13H,2,4-5,9-10H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyPMRZRXVCVFKHFO-ZDUSSCGKSA-N
MW327.45 g/mol
LogP4.08
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide

4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide (PubChem CID 31110441) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
PubChem CID31110441
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
SMILESC[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C19H21NO2S/c1-13(18-6-3-11-23-18)20-19(22)10-9-17(21)16-8-7-14-4-2-5-15(14)12-16/h3,6-8,11-13H,2,4-5,9-10H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyPMRZRXVCVFKHFO-ZDUSSCGKSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide with MolForge

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Related Compounds

4-(4-bromophenyl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 41104492
(2S)-2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119360111
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9118329
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 9116198
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide
CID 9479209
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570735
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 8012716
4-(4-fluorophenyl)-4-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9395353

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide (CID 31110441) is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide is C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccs1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide?
The InChIKey is PMRZRXVCVFKHFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-13(18-6-3-11-23-18)20-19(22)10-9-17(21)16-8-7-14-4-2-5-15(14)12-16/h3,6-8,11-13H,2,4-5,9-10H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide?
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide has a molecular weight of 327.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide is sourced from PubChem (CID 31110441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).