N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide

C19H21NO2S — CID 75407096

IUPACN-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide
SMILESCC(C(=O)N(C)c1ccccc1)S(=O)C/C=C/c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-16(19(21)20(2)18-13-7-4-8-14-18)23(22)15-9-12-17-10-5-3-6-11-17/h3-14,16H,15H2,1-2H3/b12-9+
InChIKeyWWDZHQMKCMFATR-FMIVXFBMSA-N
MW327.45 g/mol
LogP3.50
Rot. Bonds6

About N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide

N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide (PubChem CID 75407096) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide
PubChem CID75407096
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide
SMILESCC(C(=O)N(C)c1ccccc1)S(=O)C/C=C/c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-16(19(21)20(2)18-13-7-4-8-14-18)23(22)15-9-12-17-10-5-3-6-11-17/h3-14,16H,15H2,1-2H3/b12-9+
InChIKeyWWDZHQMKCMFATR-FMIVXFBMSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide
CID 95599311
(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599423
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599553
(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599453
(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
CID 95599519
3-(trichloromethylsulfinyl)prop-1-enylbenzene
CID 71350440
N-methyl-N-phenyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8544773
N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031
2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 71306931
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2516318
2,3,3-trifluoro-N-methyl-N-phenylpropanamide
CID 174784767
[(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene
CID 139248357

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide?
The IUPAC name of N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide (CID 75407096) is N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide?
The canonical SMILES for N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide is CC(C(=O)N(C)c1ccccc1)S(=O)C/C=C/c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide?
The InChIKey is WWDZHQMKCMFATR-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-16(19(21)20(2)18-13-7-4-8-14-18)23(22)15-9-12-17-10-5-3-6-11-17/h3-14,16H,15H2,1-2H3/b12-9+.
What are the key properties of N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide?
N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide has a molecular weight of 327.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide is sourced from PubChem (CID 75407096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).