2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C23H22F2N2O3S2 — CID 55433243

IUPAC2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H22F2N2O3S2/c1-15(16-7-13-19(14-8-16)32(2,29)30)26-22(28)20-5-3-4-6-21(20)27-17-9-11-18(12-10-17)31-23(24)25/h3-15,23,27H,1-2H3,(H,26,28)
InChIKeySSORSNBIERUPPR-UHFFFAOYSA-N
MW476.57 g/mol
LogP5.64
Rot. Bonds8

About 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 55433243) has the molecular formula C23H22F2N2O3S2 and a molecular weight of 476.57 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID55433243
Molecular FormulaC23H22F2N2O3S2
Molecular Weight476.57 g/mol
Exact Mass476.10
IUPAC Name2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H22F2N2O3S2/c1-15(16-7-13-19(14-8-16)32(2,29)30)26-22(28)20-5-3-4-6-21(20)27-17-9-11-18(12-10-17)31-23(24)25/h3-15,23,27H,1-2H3,(H,26,28)
InChIKeySSORSNBIERUPPR-UHFFFAOYSA-N
XLogP5.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(difluoromethylsulfanyl)anilino]-N-methyl-N-propan-2-ylbenzamide
CID 112812209
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 21179535
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2539246
N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55534918
4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 24617681
2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide
CID 25469086
3-amino-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401938
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767366
2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401935
2-[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55520479
[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone
CID 1182724

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 55433243) is 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is SSORSNBIERUPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3S2/c1-15(16-7-13-19(14-8-16)32(2,29)30)26-22(28)20-5-3-4-6-21(20)27-17-9-11-18(12-10-17)31-23(24)25/h3-15,23,27H,1-2H3,(H,26,28).
What are the key properties of 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 476.57 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 55433243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).