(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide

C20H23NOS — CID 8996376

IUPAC(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
SMILESC[C@H](Sc1ccc2c(c1)CCC2)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H23NOS/c1-15(20(22)21-13-12-16-6-3-2-4-7-16)23-19-11-10-17-8-5-9-18(17)14-19/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyXJGAJKAXZUWRTE-HNNXBMFYSA-N
MW325.48 g/mol
LogP4.01
Rot. Bonds6

About (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide

(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide (PubChem CID 8996376) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
PubChem CID8996376
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
SMILESC[C@H](Sc1ccc2c(c1)CCC2)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H23NOS/c1-15(20(22)21-13-12-16-6-3-2-4-7-16)23-19-11-10-17-8-5-9-18(17)14-19/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyXJGAJKAXZUWRTE-HNNXBMFYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide with MolForge

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 24500467
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide
CID 8996406
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
CID 8800471
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 9309142
[1-oxo-1-(2-phenylethylamino)propan-2-yl] pyrrolidine-1-carbodithioate
CID 51235045
3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 115153778
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide (CID 8996376) is (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide is C[C@H](Sc1ccc2c(c1)CCC2)C(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide?
The InChIKey is XJGAJKAXZUWRTE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-15(20(22)21-13-12-16-6-3-2-4-7-16)23-19-11-10-17-8-5-9-18(17)14-19/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide?
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide has a molecular weight of 325.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 8996376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).