(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide

C16H16ClNO2S — CID 2665735

IUPAC(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2S/c1-11(20-14-8-6-12(17)7-9-14)16(19)18-13-4-3-5-15(10-13)21-2/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyLGMKCGOABXSMRU-LLVKDONJSA-N
MW321.83 g/mol
LogP4.47
Rot. Bonds5

About (2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide

(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 2665735) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID2665735
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2S/c1-11(20-14-8-6-12(17)7-9-14)16(19)18-13-4-3-5-15(10-13)21-2/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyLGMKCGOABXSMRU-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

2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 42064328
(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893717
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
(2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 30380711
(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 26239058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide (CID 2665735) is (2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is LGMKCGOABXSMRU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11(20-14-8-6-12(17)7-9-14)16(19)18-13-4-3-5-15(10-13)21-2/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide?
(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)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)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 2665735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).