2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide

C24H33NO2S — CID 132661125

IUPAC2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(C)cc1
InChIInChI=1S/C24H33NO2S/c1-6-22(27-21-13-11-20(12-14-21)24(3,4)5)23(26)25-15-16-28-17-19-9-7-18(2)8-10-19/h7-14,22H,6,15-17H2,1-5H3,(H,25,26)
InChIKeyAXNDWEVMUZACIC-UHFFFAOYSA-N
MW399.60 g/mol
LogP5.50
Rot. Bonds9

About 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide

2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide (PubChem CID 132661125) has the molecular formula C24H33NO2S and a molecular weight of 399.60 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
PubChem CID132661125
Molecular FormulaC24H33NO2S
Molecular Weight399.60 g/mol
Exact Mass399.22
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(C)cc1
InChIInChI=1S/C24H33NO2S/c1-6-22(27-21-13-11-20(12-14-21)24(3,4)5)23(26)25-15-16-28-17-19-9-7-18(2)8-10-19/h7-14,22H,6,15-17H2,1-5H3,(H,25,26)
InChIKeyAXNDWEVMUZACIC-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 55.50
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-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 21367134
2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 132652045
2-(4-tert-butylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132661123
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
CID 133211143
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2R)-2-(4-fluorophenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 92671976
(2S)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 30380590
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
CID 28579105
(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 99951170
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
2-(4-chloro-3-methylphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132659532

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide (CID 132661125) is 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide is CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide?
The InChIKey is AXNDWEVMUZACIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2S/c1-6-22(27-21-13-11-20(12-14-21)24(3,4)5)23(26)25-15-16-28-17-19-9-7-18(2)8-10-19/h7-14,22H,6,15-17H2,1-5H3,(H,25,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide?
2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide has a molecular weight of 399.60 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide is sourced from PubChem (CID 132661125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).