2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide

C21H18F2N2O4S — CID 4787927

IUPAC2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-29-18-10-8-17(9-11-18)25(14-21(26)24-16-5-3-2-4-6-16)30(27,28)20-12-7-15(22)13-19(20)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyMIXUMPRWDIEFQB-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.81
Rot. Bonds7

About 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide

2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide (PubChem CID 4787927) has the molecular formula C21H18F2N2O4S and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
PubChem CID4787927
Molecular FormulaC21H18F2N2O4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-29-18-10-8-17(9-11-18)25(14-21(26)24-16-5-3-2-4-6-16)30(27,28)20-12-7-15(22)13-19(20)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyMIXUMPRWDIEFQB-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 32681303
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
N-(4-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1265878
N-(3-chlorophenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126387654
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291
N-(2,4-difluorophenyl)sulfonyl-N-(4-methoxyphenyl)benzamide
CID 126615373
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
N-[4-(diethylsulfamoyl)phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126348365
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 30264759

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide?
The IUPAC name of 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide (CID 4787927) is 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide?
The canonical SMILES for 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide is COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide?
The InChIKey is MIXUMPRWDIEFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S/c1-29-18-10-8-17(9-11-18)25(14-21(26)24-16-5-3-2-4-6-16)30(27,28)20-12-7-15(22)13-19(20)23/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide?
2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide has a molecular weight of 432.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide is sourced from PubChem (CID 4787927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).