(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide

C16H16ClNO2S — CID 7893717

IUPAC(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11(20-14-6-8-15(21-2)9-7-14)16(19)18-13-5-3-4-12(17)10-13/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyQUBUEZREUHJBIB-LLVKDONJSA-N
MW321.83 g/mol
LogP4.47
Rot. Bonds5

About (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide

(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide (PubChem CID 7893717) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
PubChem CID7893717
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
SMILESCSc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11(20-14-6-8-15(21-2)9-7-14)16(19)18-13-5-3-4-12(17)10-13/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyQUBUEZREUHJBIB-LLVKDONJSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 2665735
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
methyl 4-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965118
methyl 4-[1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78583530
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 42064328
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
CID 53266042
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide (CID 7893717) is (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide is CSc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
The InChIKey is QUBUEZREUHJBIB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11(20-14-6-8-15(21-2)9-7-14)16(19)18-13-5-3-4-12(17)10-13/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide?
(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide has a molecular weight of 321.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide is sourced from PubChem (CID 7893717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).