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

C17H16F2N2O4S — CID 24792559

IUPAC2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O4S/c1-25-13-5-3-12(4-6-13)20-16(22)9-26(24)10-17(23)21-15-7-2-11(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLJGLVRANBMBPPG-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.30
Rot. Bonds7

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

2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide (PubChem CID 24792559) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
PubChem CID24792559
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O4S/c1-25-13-5-3-12(4-6-13)20-16(22)9-26(24)10-17(23)21-15-7-2-11(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLJGLVRANBMBPPG-UHFFFAOYSA-N
XLogP2.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetic acid
CID 854402
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
2-[(R)-(3-fluorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 71283163
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
CID 1462946
N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952804
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
CID 95599619
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345657

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide (CID 24792559) is 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is LJGLVRANBMBPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c1-25-13-5-3-12(4-6-13)20-16(22)9-26(24)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]sulfinyl-N-(4-methoxyphenyl)acetamide?
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 382.39 g/mol, XLogP of 2.30, 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]sulfinyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 24792559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).