N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide

C24H24F2N2O3S — CID 2206422

IUPACN-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H24F2N2O3S/c1-16(2)18-9-11-19(12-10-18)28(32(30,31)20-13-7-17(3)8-14-20)15-23(29)27-24-21(25)5-4-6-22(24)26/h4-14,16H,15H2,1-3H3,(H,27,29)
InChIKeyVPMWKNMQURDACH-UHFFFAOYSA-N
MW458.53 g/mol
LogP5.23
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide

N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide (PubChem CID 2206422) has the molecular formula C24H24F2N2O3S and a molecular weight of 458.53 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
PubChem CID2206422
Molecular FormulaC24H24F2N2O3S
Molecular Weight458.53 g/mol
Exact Mass458.15
IUPAC NameN-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H24F2N2O3S/c1-16(2)18-9-11-19(12-10-18)28(32(30,31)20-13-7-17(3)8-14-20)15-23(29)27-24-21(25)5-4-6-22(24)26/h4-14,16H,15H2,1-3H3,(H,27,29)
InChIKeyVPMWKNMQURDACH-UHFFFAOYSA-N
XLogP5.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
CID 3284151
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43880133
N-(3-methylbutan-2-yl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 133240950
N-[(2S)-3-methylbutan-2-yl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 100562767
N-(2,6-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2223913
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171501
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 126034297
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30213477
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30213474
N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 1372189
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide (CID 2206422) is N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The InChIKey is VPMWKNMQURDACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3S/c1-16(2)18-9-11-19(12-10-18)28(32(30,31)20-13-7-17(3)8-14-20)15-23(29)27-24-21(25)5-4-6-22(24)26/h4-14,16H,15H2,1-3H3,(H,27,29).
What are the key properties of N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide has a molecular weight of 458.53 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 2206422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).