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

C23H31NO2S — CID 21367134

IUPAC2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
SMILESCc1ccc(CSCCNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H31NO2S/c1-17-6-8-19(9-7-17)16-27-15-14-24-22(25)18(2)26-21-12-10-20(11-13-21)23(3,4)5/h6-13,18H,14-16H2,1-5H3,(H,24,25)
InChIKeyGJMNIPWUMIWQKP-UHFFFAOYSA-N
MW385.57 g/mol
LogP5.11
Rot. Bonds8

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

2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide (PubChem CID 21367134) has the molecular formula C23H31NO2S and a molecular weight of 385.57 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
PubChem CID21367134
Molecular FormulaC23H31NO2S
Molecular Weight385.57 g/mol
Exact Mass385.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
SMILESCc1ccc(CSCCNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H31NO2S/c1-17-6-8-19(9-7-17)16-27-15-14-24-22(25)18(2)26-21-12-10-20(11-13-21)23(3,4)5/h6-13,18H,14-16H2,1-5H3,(H,24,25)
InChIKeyGJMNIPWUMIWQKP-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.57
LogP ≤ 55.11
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]butanamide
CID 132661125
2-[2-[2-(4-tert-butylphenoxy)propanoylamino]ethylsulfanyl]acetic acid
CID 119241322
(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635
(2S)-N-(2-benzylsulfanylethyl)-2-(4-chlorophenoxy)propanamide
CID 27861137
(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide
CID 26075071
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-amino-3-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide;hydrochloride
CID 120983892
(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169
(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173170

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide (CID 21367134) is 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide is Cc1ccc(CSCCNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide?
The InChIKey is GJMNIPWUMIWQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2S/c1-17-6-8-19(9-7-17)16-27-15-14-24-22(25)18(2)26-21-12-10-20(11-13-21)23(3,4)5/h6-13,18H,14-16H2,1-5H3,(H,24,25).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide?
2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide has a molecular weight of 385.57 g/mol, XLogP of 5.11, 8 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]propanamide is sourced from PubChem (CID 21367134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).