(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide

C19H23NO3S — CID 92683572

IUPAC(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
SMILESCOc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3S/c1-14(24-16-8-6-5-7-9-16)19(21)20(2)13-15-10-11-17(22-3)18(12-15)23-4/h5-12,14H,13H2,1-4H3/t14-/m1/s1
InChIKeyDMKUOUDNUBAVPH-CQSZACIVSA-N
MW345.46 g/mol
LogP3.84
Rot. Bonds7

About (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide

(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide (PubChem CID 92683572) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
PubChem CID92683572
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
SMILESCOc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3S/c1-14(24-16-8-6-5-7-9-16)19(21)20(2)13-15-10-11-17(22-3)18(12-15)23-4/h5-12,14H,13H2,1-4H3/t14-/m1/s1
InChIKeyDMKUOUDNUBAVPH-CQSZACIVSA-N
XLogP3.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 28571529
(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 39074879
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 8979838
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-N-methylpropanamide
CID 78851363
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133161733
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide
CID 28635203
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide (CID 92683572) is (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide is COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccccc2)cc1OC.
What is the InChIKey of (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide?
The InChIKey is DMKUOUDNUBAVPH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(24-16-8-6-5-7-9-16)19(21)20(2)13-15-10-11-17(22-3)18(12-15)23-4/h5-12,14H,13H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide?
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide has a molecular weight of 345.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 92683572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).