(2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide

C18H21NO3S — CID 97416822

IUPAC(2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
SMILESCSc1ccc([C@H](O)CNC(=O)[C@@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-13(22-15-6-4-3-5-7-15)18(21)19-12-17(20)14-8-10-16(23-2)11-9-14/h3-11,13,17,20H,12H2,1-2H3,(H,19,21)/t13-,17-/m1/s1
InChIKeyIYTZNSGHLOWQIJ-CXAGYDPISA-N
MW331.44 g/mol
LogP3.03
Rot. Bonds7

About (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide

(2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide (PubChem CID 97416822) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
PubChem CID97416822
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
SMILESCSc1ccc([C@H](O)CNC(=O)[C@@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-13(22-15-6-4-3-5-7-15)18(21)19-12-17(20)14-8-10-16(23-2)11-9-14/h3-11,13,17,20H,12H2,1-2H3,(H,19,21)/t13-,17-/m1/s1
InChIKeyIYTZNSGHLOWQIJ-CXAGYDPISA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416820
(2S)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416821
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 51097366
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide
CID 121132014
N-ethyl-2-phenoxypropanamide
CID 4282518
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-benzyl-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803886
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
2-[2-[2-(4-methylsulfanylphenoxy)propanoylamino]ethylsulfanyl]acetic acid
CID 119242397
2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 90581804

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide (CID 97416822) is (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide is CSc1ccc([C@H](O)CNC(=O)[C@@H](C)Oc2ccccc2)cc1.
What is the InChIKey of (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide?
The InChIKey is IYTZNSGHLOWQIJ-CXAGYDPISA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13(22-15-6-4-3-5-7-15)18(21)19-12-17(20)14-8-10-16(23-2)11-9-14/h3-11,13,17,20H,12H2,1-2H3,(H,19,21)/t13-,17-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide?
(2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 97416822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).