(2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide

C19H20FNO2S — CID 31661584

IUPAC(2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C19H20FNO2S/c1-12-4-3-5-15(10-12)23-13(2)19(22)21-17-8-9-24-18-7-6-14(20)11-16(17)18/h3-7,10-11,13,17H,8-9H2,1-2H3,(H,21,22)/t13-,17+/m0/s1
InChIKeyJCMFCRVJJFKHMG-SUMWQHHRSA-N
MW345.44 g/mol
LogP4.25
Rot. Bonds4

About (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide

(2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide (PubChem CID 31661584) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide
PubChem CID31661584
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name(2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C19H20FNO2S/c1-12-4-3-5-15(10-12)23-13(2)19(22)21-17-8-9-24-18-7-6-14(20)11-16(17)18/h3-7,10-11,13,17H,8-9H2,1-2H3,(H,21,22)/t13-,17+/m0/s1
InChIKeyJCMFCRVJJFKHMG-SUMWQHHRSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide with MolForge

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Related Compounds

(2S)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide
CID 31661595
(2R)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide
CID 31661579
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578
(2S)-2-(2,3-dichlorophenoxy)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 38934145
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 119274634
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide;hydrochloride
CID 119274645
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxypropanamide
CID 81082533
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 103928686
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-propan-2-yloxyacetamide
CID 47411869

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide (CID 31661584) is (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1.
What is the InChIKey of (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide?
The InChIKey is JCMFCRVJJFKHMG-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-12-4-3-5-15(10-12)23-13(2)19(22)21-17-8-9-24-18-7-6-14(20)11-16(17)18/h3-7,10-11,13,17H,8-9H2,1-2H3,(H,21,22)/t13-,17+/m0/s1.
What are the key properties of (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide?
(2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide has a molecular weight of 345.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 31661584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).