2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide

C22H22FN3O3S — CID 24672751

IUPAC2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
SMILESO=C(NCCc1cccnc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C22H22FN3O3S/c23-19-10-4-5-11-21(19)30(28,29)26-20(15-17-7-2-1-3-8-17)22(27)25-14-12-18-9-6-13-24-16-18/h1-11,13,16,20,26H,12,14-15H2,(H,25,27)
InChIKeyUSZMDEAULPJOSH-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.47
Rot. Bonds9

About 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide

2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide (PubChem CID 24672751) has the molecular formula C22H22FN3O3S and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
PubChem CID24672751
Molecular FormulaC22H22FN3O3S
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
SMILESO=C(NCCc1cccnc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C22H22FN3O3S/c23-19-10-4-5-11-21(19)30(28,29)26-20(15-17-7-2-1-3-8-17)22(27)25-14-12-18-9-6-13-24-16-18/h1-11,13,16,20,26H,12,14-15H2,(H,25,27)
InChIKeyUSZMDEAULPJOSH-UHFFFAOYSA-N
XLogP2.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 30539813
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43891317
(2S)-N-[4-(4-fluorophenoxy)butyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55935368
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55971747
(2R)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537318
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 55963369
(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-(2-pyridin-3-ylethyl)propanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide (CID 24672751) is 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide is O=C(NCCc1cccnc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide?
The InChIKey is USZMDEAULPJOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S/c23-19-10-4-5-11-21(19)30(28,29)26-20(15-17-7-2-1-3-8-17)22(27)25-14-12-18-9-6-13-24-16-18/h1-11,13,16,20,26H,12,14-15H2,(H,25,27).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide?
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide has a molecular weight of 427.50 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 24672751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).