(2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C19H20FNOS — CID 8830674

IUPAC(2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](Sc1ccccc1F)C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H20FNOS/c1-13(23-18-12-5-4-10-16(18)20)19(22)21-17-11-6-8-14-7-2-3-9-15(14)17/h2-5,7,9-10,12-13,17H,6,8,11H2,1H3,(H,21,22)/t13-,17+/m1/s1
InChIKeyITKOPBKEHAWEMB-DYVFJYSZSA-N
MW329.44 g/mol
LogP4.50
Rot. Bonds4

About (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 8830674) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID8830674
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name(2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](Sc1ccccc1F)C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H20FNOS/c1-13(23-18-12-5-4-10-16(18)20)19(22)21-17-11-6-8-14-7-2-3-9-15(14)17/h2-5,7,9-10,12-13,17H,6,8,11H2,1H3,(H,21,22)/t13-,17+/m1/s1
InChIKeyITKOPBKEHAWEMB-DYVFJYSZSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7785405
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29318003
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785079
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99949580
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7986649
(2S)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51970127
(2S)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 25345475
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7986648
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4817958
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
(2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7145103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 8830674) is (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C[C@@H](Sc1ccccc1F)C(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is ITKOPBKEHAWEMB-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H20FNOS/c1-13(23-18-12-5-4-10-16(18)20)19(22)21-17-11-6-8-14-7-2-3-9-15(14)17/h2-5,7,9-10,12-13,17H,6,8,11H2,1H3,(H,21,22)/t13-,17+/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 329.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 8830674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).