(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide

C18H20ClNO2S — CID 99999523

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-13-3-7-16(8-4-13)22-12-11-20-18(21)14(2)23-17-9-5-15(19)6-10-17/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyLZKRKJBGNTUCFJ-CQSZACIVSA-N
MW349.88 g/mol
LogP4.32
Rot. Bonds7

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 99999523) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID99999523
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-13-3-7-16(8-4-13)22-12-11-20-18(21)14(2)23-17-9-5-15(19)6-10-17/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyLZKRKJBGNTUCFJ-CQSZACIVSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.32
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-phenoxyethyl)propanamide
CID 27758314
2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133244583
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540065
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234759
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 133166181

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 99999523) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide is Cc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is LZKRKJBGNTUCFJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-13-3-7-16(8-4-13)22-12-11-20-18(21)14(2)23-17-9-5-15(19)6-10-17/h3-10,14H,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide has a molecular weight of 349.88 g/mol, XLogP of 4.32, 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-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 99999523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).