N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

C25H23F3N2O3S — CID 11202611

IUPACN-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCC=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C25H23F3N2O3S/c1-16(19-7-12-24(23(28)15-19)30-34(2,32)33)25(31)29-14-13-22(17-3-8-20(26)9-4-17)18-5-10-21(27)11-6-18/h3-13,15-16,30H,14H2,1-2H3,(H,29,31)
InChIKeyWPPFGBIUGCNVBO-UHFFFAOYSA-N
MW488.53 g/mol
LogP4.83
Rot. Bonds8

About N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 11202611) has the molecular formula C25H23F3N2O3S and a molecular weight of 488.53 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID11202611
Molecular FormulaC25H23F3N2O3S
Molecular Weight488.53 g/mol
Exact Mass488.14
IUPAC NameN-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCC=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C25H23F3N2O3S/c1-16(19-7-12-24(23(28)15-19)30-34(2,32)33)25(31)29-14-13-22(17-3-8-20(26)9-4-17)18-5-10-21(27)11-6-18/h3-13,15-16,30H,14H2,1-2H3,(H,29,31)
InChIKeyWPPFGBIUGCNVBO-UHFFFAOYSA-N
XLogP4.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzyl-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754526
(2S)-2-benzyl-3-[(2S)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754527
(2R)-2-benzyl-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754606
(2R)-2-benzyl-3-[(2S)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24755463
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 16223447
N-[[2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 16225649
N-[[2-(dipropylamino)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 25063675
(2S)-N-[(4-tert-butylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 44189702
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 58873268
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 58873277
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide
CID 58873361
N-[[2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873371

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 11202611) is N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is CC(C(=O)NCC=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is WPPFGBIUGCNVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3S/c1-16(19-7-12-24(23(28)15-19)30-34(2,32)33)25(31)29-14-13-22(17-3-8-20(26)9-4-17)18-5-10-21(27)11-6-18/h3-13,15-16,30H,14H2,1-2H3,(H,29,31).
What are the key properties of N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 488.53 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 11202611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).