2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide

C18H20N2O4S2 — CID 2346844

IUPAC2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSSCC(=O)Nc1ccccc1OC
InChIInChI=1S/C18H20N2O4S2/c1-23-15-9-5-3-7-13(15)19-17(21)11-25-26-12-18(22)20-14-8-4-6-10-16(14)24-2/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFGBKWJFOYPBCPE-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.66
Rot. Bonds9

About 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide

2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 2346844) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID2346844
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSSCC(=O)Nc1ccccc1OC
InChIInChI=1S/C18H20N2O4S2/c1-23-15-9-5-3-7-13(15)19-17(21)11-25-26-12-18(22)20-14-8-4-6-10-16(14)24-2/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFGBKWJFOYPBCPE-UHFFFAOYSA-N
XLogP3.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid
CID 82033021
2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 7847474
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
2-(2-hydroxyphenyl)-N-(2-methoxyphenyl)acetamide
CID 60615730
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
N-(2-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 9322485
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide (CID 2346844) is 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSSCC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is FGBKWJFOYPBCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-23-15-9-5-3-7-13(15)19-17(21)11-25-26-12-18(22)20-14-8-4-6-10-16(14)24-2/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2346844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).