N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide

C19H22FNO2S — CID 125137543

IUPACN-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCc1cccs1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FNO2S/c1-21(19(22)9-8-17-3-2-12-24-17)16-10-11-23-18(13-16)14-4-6-15(20)7-5-14/h2-7,12,16,18H,8-11,13H2,1H3/t16-,18-/m0/s1
InChIKeyLTEKCGOCSZNKCN-WMZOPIPTSA-N
MW347.46 g/mol
LogP4.20
Rot. Bonds5

About N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide

N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide (PubChem CID 125137543) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide
PubChem CID125137543
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCc1cccs1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FNO2S/c1-21(19(22)9-8-17-3-2-12-24-17)16-10-11-23-18(13-16)14-4-6-15(20)7-5-14/h2-7,12,16,18H,8-11,13H2,1H3/t16-,18-/m0/s1
InChIKeyLTEKCGOCSZNKCN-WMZOPIPTSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide
CID 146094637
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-4-pyrrol-1-ylbutanamide
CID 129471608
N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
1-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 125137586
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N,3,5-trimethylbenzamide
CID 125137566
4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide
CID 122141274
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
(2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine
CID 129358384
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide (CID 125137543) is N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide is CN(C(=O)CCc1cccs1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide?
The InChIKey is LTEKCGOCSZNKCN-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-21(19(22)9-8-17-3-2-12-24-17)16-10-11-23-18(13-16)14-4-6-15(20)7-5-14/h2-7,12,16,18H,8-11,13H2,1H3/t16-,18-/m0/s1.
What are the key properties of N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide?
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 125137543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).