(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide

C17H19NO3S — CID 42064328

IUPAC(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C17H19NO3S/c1-12(21-15-9-7-14(20-2)8-10-15)17(19)18-13-5-4-6-16(11-13)22-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyPKQMPSDELLRPJX-LBPRGKRZSA-N
MW317.41 g/mol
LogP3.82
Rot. Bonds6

About (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide

(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 42064328) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID42064328
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C17H19NO3S/c1-12(21-15-9-7-14(20-2)8-10-15)17(19)18-13-5-4-6-16(11-13)22-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyPKQMPSDELLRPJX-LBPRGKRZSA-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)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 2665735
(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 25435383
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893717
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 51337878
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
(2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 30380711
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 38886217
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide (CID 42064328) is (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide is COc1ccc(O[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is PKQMPSDELLRPJX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12(21-15-9-7-14(20-2)8-10-15)17(19)18-13-5-4-6-16(11-13)22-3/h4-12H,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide?
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)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 (2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 42064328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).