(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide

C17H19NO3S — CID 25435383

IUPAC(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-12(21-15-8-10-16(22-3)11-9-15)17(19)18-13-4-6-14(20-2)7-5-13/h4-12H,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyRYWNDIHVLIJTBB-GFCCVEGCSA-N
MW317.41 g/mol
LogP3.82
Rot. Bonds6

About (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide

(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide (PubChem CID 25435383) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
PubChem CID25435383
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-12(21-15-8-10-16(22-3)11-9-15)17(19)18-13-4-6-14(20-2)7-5-13/h4-12H,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyRYWNDIHVLIJTBB-GFCCVEGCSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 42064328
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide (CID 25435383) is (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide is COc1ccc(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The InChIKey is RYWNDIHVLIJTBB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12(21-15-8-10-16(22-3)11-9-15)17(19)18-13-4-6-14(20-2)7-5-13/h4-12H,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide?
(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide has a molecular weight of 317.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide is sourced from PubChem (CID 25435383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).