N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

C25H25FN2O3S — CID 11247973

IUPACN-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCC=C(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C25H25FN2O3S/c1-18(21-13-14-24(23(26)17-21)28-32(2,30)31)25(29)27-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,17-18,28H,16H2,1-2H3,(H,27,29)
InChIKeyPKSIPVHKQRNFME-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.55
Rot. Bonds8

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

N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 11247973) has the molecular formula C25H25FN2O3S and a molecular weight of 452.55 g/mol. Its IUPAC name is N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID11247973
Molecular FormulaC25H25FN2O3S
Molecular Weight452.55 g/mol
Exact Mass452.16
IUPAC NameN-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCC=C(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C25H25FN2O3S/c1-18(21-13-14-24(23(26)17-21)28-32(2,30)31)25(29)27-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,17-18,28H,16H2,1-2H3,(H,27,29)
InChIKeyPKSIPVHKQRNFME-UHFFFAOYSA-N
XLogP4.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24742043
2-[(4-Tert-butylphenyl)methyl]-3-[2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 11364848
(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
(2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754528
(2R)-2-benzyl-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754606
(2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24754607
(2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
CID 24755458
(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

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 11247973) is N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is CC(C(=O)NCC=C(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is PKSIPVHKQRNFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3S/c1-18(21-13-14-24(23(26)17-21)28-32(2,30)31)25(29)27-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,17-18,28H,16H2,1-2H3,(H,27,29).
What are the key properties of N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 452.55 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylprop-2-enyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 11247973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).