4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide

C23H22F2N2O4S — CID 100582106

IUPAC4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O4S/c1-32(29,30)27(17-13-14-19(24)20(25)16-17)15-7-12-23(28)26-21-10-5-6-11-22(21)31-18-8-3-2-4-9-18/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,26,28)
InChIKeyNDPJOLPJOXMXIK-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.94
Rot. Bonds9

About 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide

4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide (PubChem CID 100582106) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide
PubChem CID100582106
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC Name4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O4S/c1-32(29,30)27(17-13-14-19(24)20(25)16-17)15-7-12-23(28)26-21-10-5-6-11-22(21)31-18-8-3-2-4-9-18/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,26,28)
InChIKeyNDPJOLPJOXMXIK-UHFFFAOYSA-N
XLogP4.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
CID 53287913
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100531525
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 53287780
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 21173638
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
ethyl 4-[4-(3,4-difluoro-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate
CID 100749655
3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113136792
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenoxy)propan-2-yl]butanamide
CID 133235236
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide?
The IUPAC name of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide (CID 100582106) is 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide.
What is the SMILES notation for 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide?
The canonical SMILES for 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide is CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide?
The InChIKey is NDPJOLPJOXMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-32(29,30)27(17-13-14-19(24)20(25)16-17)15-7-12-23(28)26-21-10-5-6-11-22(21)31-18-8-3-2-4-9-18/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,26,28).
What are the key properties of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide?
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide has a molecular weight of 460.50 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide is sourced from PubChem (CID 100582106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).