N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide

C17H18N2O2S — CID 71858360

IUPACN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NC1CCc2c(O)cccc21
InChIInChI=1S/C17H18N2O2S/c1-11(22-16-7-2-3-10-18-16)17(21)19-14-9-8-13-12(14)5-4-6-15(13)20/h2-7,10-11,14,20H,8-9H2,1H3,(H,19,21)
InChIKeyJFKNMONHQWYWKQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.07
Rot. Bonds4

About N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide

N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 71858360) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID71858360
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NC1CCc2c(O)cccc21
InChIInChI=1S/C17H18N2O2S/c1-11(22-16-7-2-3-10-18-16)17(21)19-14-9-8-13-12(14)5-4-6-15(13)20/h2-7,10-11,14,20H,8-9H2,1H3,(H,19,21)
InChIKeyJFKNMONHQWYWKQ-UHFFFAOYSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylacetamide
CID 99117467
(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99795365
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenoxy-2-phenylacetamide
CID 86949742
N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide
CID 3954885
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86924670
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
(2S)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 25345475
(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 99802302
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 95622362
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517026
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517025

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide (CID 71858360) is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)NC1CCc2c(O)cccc21.
What is the InChIKey of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is JFKNMONHQWYWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11(22-16-7-2-3-10-18-16)17(21)19-14-9-8-13-12(14)5-4-6-15(13)20/h2-7,10-11,14,20H,8-9H2,1H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide?
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 71858360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).