2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide

C23H23FN2O3S — CID 11350807

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(-c2ccccc2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H23FN2O3S/c1-16(20-12-13-22(21(24)14-20)26-30(2,28)29)23(27)25-15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-14,16,26H,15H2,1-2H3,(H,25,27)
InChIKeyBBXCMDOREOIVNU-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.28
Rot. Bonds7

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide (PubChem CID 11350807) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide
PubChem CID11350807
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(-c2ccccc2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H23FN2O3S/c1-16(20-12-13-22(21(24)14-20)26-30(2,28)29)23(27)25-15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-14,16,26H,15H2,1-2H3,(H,25,27)
InChIKeyBBXCMDOREOIVNU-UHFFFAOYSA-N
XLogP4.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.28
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 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide (CID 11350807) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide is CC(C(=O)NCc1ccc(-c2ccccc2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide?
The InChIKey is BBXCMDOREOIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-16(20-12-13-22(21(24)14-20)26-30(2,28)29)23(27)25-15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-14,16,26H,15H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide has a molecular weight of 426.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-phenylphenyl)methyl]propanamide is sourced from PubChem (CID 11350807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).