(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide

C19H23NO4S — CID 40817451

IUPAC(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(SC)cc2)cc1OC
InChIInChI=1S/C19H23NO4S/c1-13(24-15-6-8-16(25-4)9-7-15)19(21)20-12-14-5-10-17(22-2)18(11-14)23-3/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyLCEWFLUFJQCNOY-ZDUSSCGKSA-N
MW361.46 g/mol
LogP3.51
Rot. Bonds8

About (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide

(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide (PubChem CID 40817451) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide
PubChem CID40817451
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(SC)cc2)cc1OC
InChIInChI=1S/C19H23NO4S/c1-13(24-15-6-8-16(25-4)9-7-15)19(21)20-12-14-5-10-17(22-2)18(11-14)23-3/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyLCEWFLUFJQCNOY-ZDUSSCGKSA-N
XLogP3.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-nitrophenoxy)propanamide
CID 17374683
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-iodophenoxy)propanamide
CID 25466275
[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8999023
methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
CID 51537459
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
2-(4-bromophenoxy)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]propanamide
CID 46477042
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100665578

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide (CID 40817451) is (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide is COc1ccc(CNC(=O)[C@H](C)Oc2ccc(SC)cc2)cc1OC.
What is the InChIKey of (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide?
The InChIKey is LCEWFLUFJQCNOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13(24-15-6-8-16(25-4)9-7-15)19(21)20-12-14-5-10-17(22-2)18(11-14)23-3/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide?
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide has a molecular weight of 361.46 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide is sourced from PubChem (CID 40817451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).