N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide

C25H26N2O3S — CID 2566216

IUPACN-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H26N2O3S/c1-4-30-22-8-6-5-7-21(22)25(29)26-16-24(28)27-19-11-13-20(14-12-19)31-23-15-17(2)9-10-18(23)3/h5-15H,4,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyFQGMAAVBXHIVHL-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.22
Rot. Bonds8

About N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide

N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 2566216) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide
PubChem CID2566216
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H26N2O3S/c1-4-30-22-8-6-5-7-21(22)25(29)26-16-24(28)27-19-11-13-20(14-12-19)31-23-15-17(2)9-10-18(23)3/h5-15H,4,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyFQGMAAVBXHIVHL-UHFFFAOYSA-N
XLogP5.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide 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

2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 9495521
2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959821
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807853
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071303
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 9433370
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-methoxyacetate
CID 7776150

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide (CID 2566216) is N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is FQGMAAVBXHIVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-4-30-22-8-6-5-7-21(22)25(29)26-16-24(28)27-19-11-13-20(14-12-19)31-23-15-17(2)9-10-18(23)3/h5-15H,4,16H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide?
N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 434.56 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 2566216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).