2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C23H20F4N2O3S — CID 74291958

IUPAC2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H20F4N2O3S/c24-19-8-4-5-9-21(19)33(31,32)29-20(14-16-6-2-1-3-7-16)22(30)28-15-17-10-12-18(13-11-17)23(25,26)27/h1-13,20,29H,14-15H2,(H,28,30)
InChIKeyBHUJUWTWGBAYIR-UHFFFAOYSA-N
MW480.48 g/mol
LogP4.05
Rot. Bonds8

About 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 74291958) has the molecular formula C23H20F4N2O3S and a molecular weight of 480.48 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID74291958
Molecular FormulaC23H20F4N2O3S
Molecular Weight480.48 g/mol
Exact Mass480.11
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H20F4N2O3S/c24-19-8-4-5-9-21(19)33(31,32)29-20(14-16-6-2-1-3-7-16)22(30)28-15-17-10-12-18(13-11-17)23(25,26)27/h1-13,20,29H,14-15H2,(H,28,30)
InChIKeyBHUJUWTWGBAYIR-UHFFFAOYSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 46580892
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 55963369
2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18164591
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 55340951
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide
CID 24643173
2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 24638426
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 24672751
(2S)-N-(2-chlorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55937511

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 74291958) is 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is O=C(NCc1ccc(C(F)(F)F)cc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is BHUJUWTWGBAYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O3S/c24-19-8-4-5-9-21(19)33(31,32)29-20(14-16-6-2-1-3-7-16)22(30)28-15-17-10-12-18(13-11-17)23(25,26)27/h1-13,20,29H,14-15H2,(H,28,30).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 480.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 74291958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).