N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C30H26F3NO3S — CID 5147755

IUPACN-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CN(Cc2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26F3NO3S/c1-38(36,37)27-17-15-22(16-18-27)20-34(21-23-9-8-14-26(19-23)30(31,32)33)29(35)28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-19,28H,20-21H2,1H3
InChIKeyNNUZXWDETUGVSJ-UHFFFAOYSA-N
MW537.60 g/mol
LogP6.47
Rot. Bonds8

About N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 5147755) has the molecular formula C30H26F3NO3S and a molecular weight of 537.60 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID5147755
Molecular FormulaC30H26F3NO3S
Molecular Weight537.60 g/mol
Exact Mass537.16
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CN(Cc2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26F3NO3S/c1-38(36,37)27-17-15-22(16-18-27)20-34(21-23-9-8-14-26(19-23)30(31,32)33)29(35)28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-19,28H,20-21H2,1H3
InChIKeyNNUZXWDETUGVSJ-UHFFFAOYSA-N
XLogP6.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.60
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Azd-5672
CID 16007088
N-[3,3-Bis-(4-fluorophenyl)-propyl]-4-methanesulfonyl-benzamide
CID 11976771
N-[1-[3,3-bis(4-fluorophenyl)propyl]-4-piperidyl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
CID 16073659
(R)-N-(1-(3-(3,4-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide
CID 16073663
N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide
CID 44392096
N-Ethyl-N-{1-[3-(4-fluoro-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-2-(4-methanesulfonyl-phenyl)-acetamide
CID 44404605
N-benzhydryl-4-(difluoromethylsulfonyl)benzamide
CID 2713421
N-[1-[3-(1-benzyl-4-piperidyl)-3-phenyl-propyl]-4-piperidyl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
CID 3011723
N-(1-adamantyl)-N-ethyl-4-methylsulfonylbenzamide
CID 4883034
N-allyl-N-(1-(3,3-diphenylpropyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide
CID 11421221
(R)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(4-(methylsulfonyl)phenyl)-3-(3-(trifluoromethyl)phenyl)propyl)piperidin-4-yl)acetamide
CID 16073665
(R)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(4-(methylsulfonyl)phenyl)-3-(3,4,5-trifluorophenyl)propyl)piperidin-4-yl)acetamide
CID 16073666

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 5147755) is N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CS(=O)(=O)c1ccc(CN(Cc2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is NNUZXWDETUGVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3NO3S/c1-38(36,37)27-17-15-22(16-18-27)20-34(21-23-9-8-14-26(19-23)30(31,32)33)29(35)28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-19,28H,20-21H2,1H3.
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 537.60 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-2,2-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 5147755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).