2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide

C20H24FNO2S — CID 33108068

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide
SMILESCc1ccc(C)c(SCC(=O)NCCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO2S/c1-15-5-6-16(2)19(13-15)25-14-20(23)22-11-3-4-12-24-18-9-7-17(21)8-10-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23)
InChIKeyCQPYOKWBLHEJMI-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.51
Rot. Bonds9

About 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide (PubChem CID 33108068) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide
PubChem CID33108068
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide
SMILESCc1ccc(C)c(SCC(=O)NCCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO2S/c1-15-5-6-16(2)19(13-15)25-14-20(23)22-11-3-4-12-24-18-9-7-17(21)8-10-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23)
InChIKeyCQPYOKWBLHEJMI-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.51
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-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119508375
2-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43060840
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
CID 32644414
N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide
CID 9492725
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide
CID 115612499
2-[[2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43387450
2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109465
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide (CID 33108068) is 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide is Cc1ccc(C)c(SCC(=O)NCCCCOc2ccc(F)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide?
The InChIKey is CQPYOKWBLHEJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-15-5-6-16(2)19(13-15)25-14-20(23)22-11-3-4-12-24-18-9-7-17(21)8-10-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide has a molecular weight of 361.48 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide is sourced from PubChem (CID 33108068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).