2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide

C19H23NO2S — CID 112813149

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)C(Sc1ccc2c(c1)CCC2)C(=O)NCc1ccco1
InChIInChI=1S/C19H23NO2S/c1-13(2)18(19(21)20-12-16-7-4-10-22-16)23-17-9-8-14-5-3-6-15(14)11-17/h4,7-11,13,18H,3,5-6,12H2,1-2H3,(H,20,21)
InChIKeyRBIDTDMMTUYOCV-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.20
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide (PubChem CID 112813149) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide
PubChem CID112813149
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)C(Sc1ccc2c(c1)CCC2)C(=O)NCc1ccco1
InChIInChI=1S/C19H23NO2S/c1-13(2)18(19(21)20-12-16-7-4-10-22-16)23-17-9-8-14-5-3-6-15(14)11-17/h4,7-11,13,18H,3,5-6,12H2,1-2H3,(H,20,21)
InChIKeyRBIDTDMMTUYOCV-UHFFFAOYSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 51096389
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CID 7234960
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(furan-2-ylmethyl)butanamide
CID 45148077
N-(furan-2-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133231084
2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 79149778
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 39983079
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376
1-(2,3-dihydro-1H-inden-5-yl)-2-(furan-2-ylmethylamino)ethanone
CID 82102295
(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 9452084
(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide (CID 112813149) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide is CC(C)C(Sc1ccc2c(c1)CCC2)C(=O)NCc1ccco1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide?
The InChIKey is RBIDTDMMTUYOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-13(2)18(19(21)20-12-16-7-4-10-22-16)23-17-9-8-14-5-3-6-15(14)11-17/h4,7-11,13,18H,3,5-6,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide has a molecular weight of 329.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(furan-2-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 112813149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).