2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

C17H16F2N2O3S — CID 9164992

IUPAC2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O3S/c1-24-13-5-3-12(4-6-13)20-16(22)9-25-10-17(23)21-15-7-2-11(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNMYGZZWUAIAESY-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.28
Rot. Bonds7

About 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 9164992) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID9164992
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O3S/c1-24-13-5-3-12(4-6-13)20-16(22)9-25-10-17(23)21-15-7-2-11(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNMYGZZWUAIAESY-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 24792559
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40883287
2-[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 25104686
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040661
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548137
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 9164992) is 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is NMYGZZWUAIAESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-24-13-5-3-12(4-6-13)20-16(22)9-25-10-17(23)21-15-7-2-11(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 366.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9164992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).