N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide

C24H24N2O3S — CID 26915197

IUPACN-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCOc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C24H24N2O3S/c1-16-11-12-21(17(2)13-16)26-24(28)20-9-4-5-10-22(20)30-15-23(27)25-18-7-6-8-19(14-18)29-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyRIMXQTLJUZYSBN-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.30
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide

N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 26915197) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
PubChem CID26915197
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCOc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C24H24N2O3S/c1-16-11-12-21(17(2)13-16)26-24(28)20-9-4-5-10-22(20)30-15-23(27)25-18-7-6-8-19(14-18)29-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyRIMXQTLJUZYSBN-UHFFFAOYSA-N
XLogP5.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 29175162
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 29358100
N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)acetamide
CID 7636776
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
N-[1-(3-methoxyphenyl)propan-2-yl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 86941756
N-[1-(3,4-dichlorophenyl)ethyl]-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 42998506
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451413
N-(4-bromo-2-methylphenyl)-2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790084

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide (CID 26915197) is N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide is COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is RIMXQTLJUZYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-16-11-12-21(17(2)13-16)26-24(28)20-9-4-5-10-22(20)30-15-23(27)25-18-7-6-8-19(14-18)29-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide?
N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 420.53 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 26915197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).