2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide

C23H32N2O3S2 — CID 46899391

IUPAC2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1ccc(CCSCCNCC(=O)NCCSCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H32N2O3S2/c1-27-21-7-3-19(4-8-21)11-14-29-15-12-24-17-23(26)25-13-16-30-18-20-5-9-22(28-2)10-6-20/h3-10,24H,11-18H2,1-2H3,(H,25,26)
InChIKeyUQBGVKUZXFDSTB-UHFFFAOYSA-N
MW448.65 g/mol
LogP3.62
Rot. Bonds15

About 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide

2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 46899391) has the molecular formula C23H32N2O3S2 and a molecular weight of 448.65 g/mol. Its IUPAC name is 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide
PubChem CID46899391
Molecular FormulaC23H32N2O3S2
Molecular Weight448.65 g/mol
Exact Mass448.19
IUPAC Name2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1ccc(CCSCCNCC(=O)NCCSCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H32N2O3S2/c1-27-21-7-3-19(4-8-21)11-14-29-15-12-24-17-23(26)25-13-16-30-18-20-5-9-22(28-2)10-6-20/h3-10,24H,11-18H2,1-2H3,(H,25,26)
InChIKeyUQBGVKUZXFDSTB-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.65
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
tert-butyl N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]carbamate
CID 91482840
2-[(4-bromophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2971850
N-(2-benzylsulfanylethyl)-4-(4-methoxyphenoxy)butanamide
CID 21368216
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279569
2-(2-methoxyethylamino)-N-[3-(4-methoxyphenyl)propyl]acetamide;hydrochloride
CID 119742175
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773410
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
N-(3,3-diphenylpropyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 16658889
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide (CID 46899391) is 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide is COc1ccc(CCSCCNCC(=O)NCCSCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is UQBGVKUZXFDSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S2/c1-27-21-7-3-19(4-8-21)11-14-29-15-12-24-17-23(26)25-13-16-30-18-20-5-9-22(28-2)10-6-20/h3-10,24H,11-18H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide?
2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 448.65 g/mol, XLogP of 3.62, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 46899391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).