(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide

C19H22ClNO2S — CID 28575591

IUPAC(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)NCCSCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO2S/c1-14-6-3-4-9-18(14)23-15(2)19(22)21-10-11-24-13-16-7-5-8-17(20)12-16/h3-9,12,15H,10-11,13H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyNIWCQXQVSXKWSH-HNNXBMFYSA-N
MW363.91 g/mol
LogP4.47
Rot. Bonds8

About (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide

(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide (PubChem CID 28575591) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
PubChem CID28575591
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)NCCSCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO2S/c1-14-6-3-4-9-18(14)23-15(2)19(22)21-10-11-24-13-16-7-5-8-17(20)12-16/h3-9,12,15H,10-11,13H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyNIWCQXQVSXKWSH-HNNXBMFYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.47
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

N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 43875466
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 38003536
(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 94012917
(2S)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 9173320
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92646274
(2S)-N-(2-benzylsulfanylethyl)-2-(4-chlorophenoxy)propanamide
CID 27861137
(2R)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100597757
2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 43915835
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-naphthalen-2-yloxybutanamide
CID 46764606

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide (CID 28575591) is (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@@H](C)C(=O)NCCSCc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is NIWCQXQVSXKWSH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-14-6-3-4-9-18(14)23-15(2)19(22)21-10-11-24-13-16-7-5-8-17(20)12-16/h3-9,12,15H,10-11,13H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide?
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 363.91 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 28575591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).