N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide

C17H18N2O2S — CID 78892378

IUPACN-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-3-18-16(20)12-4-8-14(9-5-12)19-17(21)13-6-10-15(22-2)11-7-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOQBAMTNUAQSXEJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.41
Rot. Bonds5

About N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide

N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide (PubChem CID 78892378) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
PubChem CID78892378
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-3-18-16(20)12-4-8-14(9-5-12)19-17(21)13-6-10-15(22-2)11-7-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOQBAMTNUAQSXEJ-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
4-benzamido-N-ethylbenzamide
CID 17153265
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
N-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide
CID 63209394
4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
CID 9153985
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214098

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide?
The IUPAC name of N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide (CID 78892378) is N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide.
What is the SMILES notation for N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide?
The canonical SMILES for N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide is CCNC(=O)c1ccc(NC(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide?
The InChIKey is OQBAMTNUAQSXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-3-18-16(20)12-4-8-14(9-5-12)19-17(21)13-6-10-15(22-2)11-7-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide?
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide has a molecular weight of 314.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide is sourced from PubChem (CID 78892378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).