(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide

C17H18ClNO2S — CID 27758314

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H18ClNO2S/c1-13(22-16-9-7-14(18)8-10-16)17(20)19-11-12-21-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyJBWQKPWWSQLYJZ-CYBMUJFWSA-N
MW335.86 g/mol
LogP4.02
Rot. Bonds7

About (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide (PubChem CID 27758314) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
PubChem CID27758314
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H18ClNO2S/c1-13(22-16-9-7-14(18)8-10-16)17(20)19-11-12-21-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyJBWQKPWWSQLYJZ-CYBMUJFWSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540065
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 133166181
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234759
2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 132652946
4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid
CID 80538017
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200
3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methoxypropanoic acid
CID 106107383

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide (CID 27758314) is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide is C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide?
The InChIKey is JBWQKPWWSQLYJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-13(22-16-9-7-14(18)8-10-16)17(20)19-11-12-21-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide has a molecular weight of 335.86 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 27758314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).