2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide

C24H20N4O2S — CID 112845760

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3nccnc3c2)cc1
InChIInChI=1S/C24H20N4O2S/c1-16-6-8-17(9-7-16)27-23(29)15-31-22-5-3-2-4-19(22)24(30)28-18-10-11-20-21(14-18)26-13-12-25-20/h2-14H,15H2,1H3,(H,27,29)(H,28,30)
InChIKeySCPDPQUEBMEEDV-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.92
Rot. Bonds6

About 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide (PubChem CID 112845760) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide
PubChem CID112845760
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3nccnc3c2)cc1
InChIInChI=1S/C24H20N4O2S/c1-16-6-8-17(9-7-16)27-23(29)15-31-22-5-3-2-4-19(22)24(30)28-18-10-11-20-21(14-18)26-13-12-25-20/h2-14H,15H2,1H3,(H,27,29)(H,28,30)
InChIKeySCPDPQUEBMEEDV-UHFFFAOYSA-N
XLogP4.92
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-pyridinyl)benzamide
CID 78794452
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 112762736
N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790919
N-(2-fluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 78777754
N-(5-fluoro-2-methylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345576
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 55566962
N-(2,3-dichlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345939
N-(4-methylphenyl)-2-[2-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]sulfanylacetamide
CID 4858191
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55334838
2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 100753352
N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 120651172

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide (CID 112845760) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide is Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3nccnc3c2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide?
The InChIKey is SCPDPQUEBMEEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-16-6-8-17(9-7-16)27-23(29)15-31-22-5-3-2-4-19(22)24(30)28-18-10-11-20-21(14-18)26-13-12-25-20/h2-14H,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide has a molecular weight of 428.52 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide is sourced from PubChem (CID 112845760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).