2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide

C20H24ClNO2S — CID 133166098

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCCOc1cc(C)ccc1C
InChIInChI=1S/C20H24ClNO2S/c1-4-19(25-17-9-7-16(21)8-10-17)20(23)22-11-12-24-18-13-14(2)5-6-15(18)3/h5-10,13,19H,4,11-12H2,1-3H3,(H,22,23)
InChIKeyGWDXNXITSQZBOU-UHFFFAOYSA-N
MW377.94 g/mol
LogP5.02
Rot. Bonds8

About 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide

2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide (PubChem CID 133166098) has the molecular formula C20H24ClNO2S and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
PubChem CID133166098
Molecular FormulaC20H24ClNO2S
Molecular Weight377.94 g/mol
Exact Mass377.12
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCCOc1cc(C)ccc1C
InChIInChI=1S/C20H24ClNO2S/c1-4-19(25-17-9-7-16(21)8-10-17)20(23)22-11-12-24-18-13-14(2)5-6-15(18)3/h5-10,13,19H,4,11-12H2,1-3H3,(H,22,23)
InChIKeyGWDXNXITSQZBOU-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.94
LogP ≤ 55.02
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

2-(4-chlorophenyl)sulfanyl-N-[2-(3,5-dimethylphenoxy)ethyl]butanamide
CID 133240278
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 133235789
(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
CID 93487779
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166075
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
CID 133235781
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 28635758
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240493
2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 132663545
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 30378708
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
CID 94019624
2-(4-chlorophenyl)sulfanyl-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132656541
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide (CID 133166098) is 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)NCCOc1cc(C)ccc1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide?
The InChIKey is GWDXNXITSQZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2S/c1-4-19(25-17-9-7-16(21)8-10-17)20(23)22-11-12-24-18-13-14(2)5-6-15(18)3/h5-10,13,19H,4,11-12H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide has a molecular weight of 377.94 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133166098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).