N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide

C24H24N2O2S — CID 112790919

IUPACN-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCCc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C24H24N2O2S/c1-3-18-7-6-8-20(15-18)26-24(28)21-9-4-5-10-22(21)29-16-23(27)25-19-13-11-17(2)12-14-19/h4-15H,3,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVYKORHQYAOVTRJ-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.54
Rot. Bonds7

About N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide

N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 112790919) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
PubChem CID112790919
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCCc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C24H24N2O2S/c1-3-18-7-6-8-20(15-18)26-24(28)21-9-4-5-10-22(21)29-16-23(27)25-19-13-11-17(2)12-14-19/h4-15H,3,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVYKORHQYAOVTRJ-UHFFFAOYSA-N
XLogP5.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 112762736
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide
CID 112845760
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
N-(2-fluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 78777754
N-(2,3-dichlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345939
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-pyridinyl)benzamide
CID 78794452
N-(5-fluoro-2-methylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345576
(2-anilino-2-oxoethyl) 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 42106297
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
N-[1-(3-methoxyphenyl)propan-2-yl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 86941756
N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55334838
2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
CID 36676700

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide (CID 112790919) is N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide is CCc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is VYKORHQYAOVTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-3-18-7-6-8-20(15-18)26-24(28)21-9-4-5-10-22(21)29-16-23(27)25-19-13-11-17(2)12-14-19/h4-15H,3,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 404.54 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 112790919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).