3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide

C19H29FN2O2S — CID 167942863

IUPAC3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide
SMILESCN1CCCC(C)(C)C1CNC(=O)C(C)(O)CSc1cccc(F)c1
InChIInChI=1S/C19H29FN2O2S/c1-18(2)9-6-10-22(4)16(18)12-21-17(23)19(3,24)13-25-15-8-5-7-14(20)11-15/h5,7-8,11,16,24H,6,9-10,12-13H2,1-4H3,(H,21,23)
InChIKeyGBWXVUGGTUTJGE-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.91
Rot. Bonds6

About 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide

3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide (PubChem CID 167942863) has the molecular formula C19H29FN2O2S and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide
PubChem CID167942863
Molecular FormulaC19H29FN2O2S
Molecular Weight368.52 g/mol
Exact Mass368.19
IUPAC Name3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide
SMILESCN1CCCC(C)(C)C1CNC(=O)C(C)(O)CSc1cccc(F)c1
InChIInChI=1S/C19H29FN2O2S/c1-18(2)9-6-10-22(4)16(18)12-21-17(23)19(3,24)13-25-15-8-5-7-14(20)11-15/h5,7-8,11,16,24H,6,9-10,12-13H2,1-4H3,(H,21,23)
InChIKeyGBWXVUGGTUTJGE-UHFFFAOYSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide with MolForge

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Related Compounds

N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
CID 166360544
N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
CID 167803197
2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone
CID 66071426
(2R)-2-tert-butyl-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 67445507
N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119630100
N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 53011180
2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445254
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-one
CID 66072466
3-[[2-[(3-fluorophenyl)methyl]-9-methyl-2,9-diazaspiro[5.5]undecan-1-yl]methyl]-1,1-dimethylurea
CID 131672068
2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909417

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide (CID 167942863) is 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide is CN1CCCC(C)(C)C1CNC(=O)C(C)(O)CSc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide?
The InChIKey is GBWXVUGGTUTJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2S/c1-18(2)9-6-10-22(4)16(18)12-21-17(23)19(3,24)13-25-15-8-5-7-14(20)11-15/h5,7-8,11,16,24H,6,9-10,12-13H2,1-4H3,(H,21,23).
What are the key properties of 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide?
3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide has a molecular weight of 368.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide is sourced from PubChem (CID 167942863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).