(R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide

C18H26FNO2S — CID 159301963

IUPAC(R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@](C)(N[S@](=O)C(C)(C)C)c1cc(CC(C)=O)ccc1F
InChIInChI=1S/C18H26FNO2S/c1-7-10-18(6,20-23(22)17(3,4)5)15-12-14(11-13(2)21)8-9-16(15)19/h7-9,12,20H,1,10-11H2,2-6H3/t18-,23+/m0/s1
InChIKeyMWEUUSYXQNOGQW-FDDCHVKYSA-N
MW339.48 g/mol
LogP3.80
Rot. Bonds7

About (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 159301963) has the molecular formula C18H26FNO2S and a molecular weight of 339.48 g/mol. Its IUPAC name is (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID159301963
Molecular FormulaC18H26FNO2S
Molecular Weight339.48 g/mol
Exact Mass339.17
IUPAC Name(R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@](C)(N[S@](=O)C(C)(C)C)c1cc(CC(C)=O)ccc1F
InChIInChI=1S/C18H26FNO2S/c1-7-10-18(6,20-23(22)17(3,4)5)15-12-14(11-13(2)21)8-9-16(15)19/h7-9,12,20H,1,10-11H2,2-6H3/t18-,23+/m0/s1
InChIKeyMWEUUSYXQNOGQW-FDDCHVKYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(R)-N-[(2S)-2-(2-fluorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
CID 118399552
N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90375303
ethyl (5S)-5-(5-bromo-2-fluorophenyl)-5-[[(R)-tert-butylsulfinyl]amino]-3-oxohexanoate
CID 130377125
(R)-N-[(2S)-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 123856021
[(4S)-4-[2-fluoro-5-(2-oxopropyl)phenyl]-4-isothiocyanato-2-oxopentyl] acetate
CID 157462717
(S)-N-[(2R)-2-(5-bromo-2-fluorophenyl)-1-(2-cyanopropan-2-ylsulfonyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 129409300
1-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propan-2-one
CID 67391018
(R)-N-[(1R)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]-2-methylpropane-2-sulfinamide
CID 59459009
(R)-N-[(2S)-2-(2-fluoro-3-methylphenyl)-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 126486674
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
N-[2-(5-bromo-2,4-difluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90238421
N-[(2S)-2-(5-bromo-2-fluorophenyl)-1-fluoro-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90373049

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide (CID 159301963) is (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide is C=CC[C@](C)(N[S@](=O)C(C)(C)C)c1cc(CC(C)=O)ccc1F.
What is the InChIKey of (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is MWEUUSYXQNOGQW-FDDCHVKYSA-N. The full InChI is InChI=1S/C18H26FNO2S/c1-7-10-18(6,20-23(22)17(3,4)5)15-12-14(11-13(2)21)8-9-16(15)19/h7-9,12,20H,1,10-11H2,2-6H3/t18-,23+/m0/s1.
What are the key properties of (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 339.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 159301963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).