N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide

C20H26N2O3S2 — CID 123526648

IUPACN-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide
SMILESCCNc1cc(SSc2cc(NC(C)=O)c(OC)cc2C)c(C)cc1OC
InChIInChI=1S/C20H26N2O3S2/c1-7-21-15-10-19(12(2)8-17(15)24-5)26-27-20-11-16(22-14(4)23)18(25-6)9-13(20)3/h8-11,21H,7H2,1-6H3,(H,22,23)
InChIKeyDERZUJUUWKULAR-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.51
Rot. Bonds8

About N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide

N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide (PubChem CID 123526648) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide
PubChem CID123526648
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide
SMILESCCNc1cc(SSc2cc(NC(C)=O)c(OC)cc2C)c(C)cc1OC
InChIInChI=1S/C20H26N2O3S2/c1-7-21-15-10-19(12(2)8-17(15)24-5)26-27-20-11-16(22-14(4)23)18(25-6)9-13(20)3/h8-11,21H,7H2,1-6H3,(H,22,23)
InChIKeyDERZUJUUWKULAR-UHFFFAOYSA-N
XLogP5.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 175407418
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-[4-(diethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 14895987
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
N-[4-(dimethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 162727666
4-acetamido-2,5-dimethoxybenzenesulfinic acid
CID 102438502
1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one
CID 172859147
ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate
CID 115141832
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
2-[(2-methoxy-4,5-dimethylanilino)methyl]-3-methylbutanoic acid
CID 115250182

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide?
The IUPAC name of N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide (CID 123526648) is N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide is CCNc1cc(SSc2cc(NC(C)=O)c(OC)cc2C)c(C)cc1OC.
What is the InChIKey of N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide?
The InChIKey is DERZUJUUWKULAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-7-21-15-10-19(12(2)8-17(15)24-5)26-27-20-11-16(22-14(4)23)18(25-6)9-13(20)3/h8-11,21H,7H2,1-6H3,(H,22,23).
What are the key properties of N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide?
N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(ethylamino)-4-methoxy-2-methylphenyl]disulfanyl]-2-methoxy-4-methylphenyl]acetamide is sourced from PubChem (CID 123526648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).