4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide

C21H18N2O3S — CID 7931590

IUPAC4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3S/c22-21(25)15-10-12-16(13-11-15)26-14-20(24)23-18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-13H,14H2,(H2,22,25)(H,23,24)
InChIKeyRTGAVPHUNOLGEK-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.95
Rot. Bonds7

About 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide

4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide (PubChem CID 7931590) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide
PubChem CID7931590
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3S/c22-21(25)15-10-12-16(13-11-15)26-14-20(24)23-18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-13H,14H2,(H2,22,25)(H,23,24)
InChIKeyRTGAVPHUNOLGEK-UHFFFAOYSA-N
XLogP3.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
CID 17247177
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3,5-dimethylbenzoate
CID 7749615
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate
CID 8627359
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 2358318
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-chlorobenzoate
CID 7860058
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
CID 108888842
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(4-fluorophenyl)acetate
CID 7759345
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
CID 4132140
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide (CID 7931590) is 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide?
The InChIKey is RTGAVPHUNOLGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c22-21(25)15-10-12-16(13-11-15)26-14-20(24)23-18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-13H,14H2,(H2,22,25)(H,23,24).
What are the key properties of 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide?
4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide is sourced from PubChem (CID 7931590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).