N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide

C14H19FN2OS — CID 86993661

IUPACN-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
SMILESCc1ccc(NC(=O)C(C)N2CCSCC2)c(F)c1
InChIInChI=1S/C14H19FN2OS/c1-10-3-4-13(12(15)9-10)16-14(18)11(2)17-5-7-19-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)
InChIKeyGDOBWRUXKXBRRM-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.51
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide

N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide (PubChem CID 86993661) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
PubChem CID86993661
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
SMILESCc1ccc(NC(=O)C(C)N2CCSCC2)c(F)c1
InChIInChI=1S/C14H19FN2OS/c1-10-3-4-13(12(15)9-10)16-14(18)11(2)17-5-7-19-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)
InChIKeyGDOBWRUXKXBRRM-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977
(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 32724400
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
CID 97249140
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
N-(4-chloro-2-fluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680009
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
N-hydroxy-2-thiomorpholin-4-ylpropanamide
CID 130625888
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011
N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 86993654
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide (CID 86993661) is N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide is Cc1ccc(NC(=O)C(C)N2CCSCC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide?
The InChIKey is GDOBWRUXKXBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-10-3-4-13(12(15)9-10)16-14(18)11(2)17-5-7-19-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide?
N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide has a molecular weight of 282.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 86993661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).