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

C25H27FN2O3S — CID 11270983

IUPACN-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C25H27FN2O3S/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/h3-14,17-18,22,28H,15-16H2,1-2H3,(H,27,29)
InChIKeyRQIZTURHWZMSES-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.64
Rot. Bonds9

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

N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 11270983) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID11270983
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC NameN-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C25H27FN2O3S/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/h3-14,17-18,22,28H,15-16H2,1-2H3,(H,27,29)
InChIKeyRQIZTURHWZMSES-UHFFFAOYSA-N
XLogP4.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 11270983) is N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is CC(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is RQIZTURHWZMSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3S/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/h3-14,17-18,22,28H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 454.57 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 11270983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).