[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate

C26H26N2O5S — CID 55392351

IUPAC[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
SMILESCOc1cccc(NC(=O)CSc2ccccc2C(=O)OC(C(=O)N(C)C)c2ccccc2)c1
InChIInChI=1S/C26H26N2O5S/c1-28(2)25(30)24(18-10-5-4-6-11-18)33-26(31)21-14-7-8-15-22(21)34-17-23(29)27-19-12-9-13-20(16-19)32-3/h4-16,24H,17H2,1-3H3,(H,27,29)
InChIKeyAEZNZKFBYWIYHR-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.41
Rot. Bonds9

About [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate

[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate (PubChem CID 55392351) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
PubChem CID55392351
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
SMILESCOc1cccc(NC(=O)CSc2ccccc2C(=O)OC(C(=O)N(C)C)c2ccccc2)c1
InChIInChI=1S/C26H26N2O5S/c1-28(2)25(30)24(18-10-5-4-6-11-18)33-26(31)21-14-7-8-15-22(21)34-17-23(29)27-19-12-9-13-20(16-19)32-3/h4-16,24H,17H2,1-3H3,(H,27,29)
InChIKeyAEZNZKFBYWIYHR-UHFFFAOYSA-N
XLogP4.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-amino-1-oxopropan-2-yl) 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42898886
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42977856
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42104493
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42975745
[2-(3-methoxyanilino)-2-oxoethyl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate
CID 42106602
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42972675
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,3-dimethoxybenzoate
CID 2515766
N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26915197
2-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 17488278

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate?
The IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate (CID 55392351) is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate is COc1cccc(NC(=O)CSc2ccccc2C(=O)OC(C(=O)N(C)C)c2ccccc2)c1.
What is the InChIKey of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate?
The InChIKey is AEZNZKFBYWIYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S/c1-28(2)25(30)24(18-10-5-4-6-11-18)33-26(31)21-14-7-8-15-22(21)34-17-23(29)27-19-12-9-13-20(16-19)32-3/h4-16,24H,17H2,1-3H3,(H,27,29).
What are the key properties of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate?
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate has a molecular weight of 478.57 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate is sourced from PubChem (CID 55392351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).