(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C23H22FN5O3S — CID 30539813

IUPAC(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESO=C(NCCc1nnc2ccccn12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H22FN5O3S/c24-18-10-4-5-11-20(18)33(31,32)28-19(16-17-8-2-1-3-9-17)23(30)25-14-13-22-27-26-21-12-6-7-15-29(21)22/h1-12,15,19,28H,13-14,16H2,(H,25,30)/t19-/m1/s1
InChIKeyDRTDOEWSIJXZSS-LJQANCHMSA-N
MW467.53 g/mol
LogP2.12
Rot. Bonds9

About (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 30539813) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID30539813
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC Name(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESO=C(NCCc1nnc2ccccn12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H22FN5O3S/c24-18-10-4-5-11-20(18)33(31,32)28-19(16-17-8-2-1-3-9-17)23(30)25-14-13-22-27-26-21-12-6-7-15-29(21)22/h1-12,15,19,28H,13-14,16H2,(H,25,30)/t19-/m1/s1
InChIKeyDRTDOEWSIJXZSS-LJQANCHMSA-N
XLogP2.12
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 24672751
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629918
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51923704
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
(2S)-N-[4-(4-fluorophenoxy)butyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55935368
(2-amino-2-oxoethyl) (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 2540770
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649253

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 30539813) is (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is O=C(NCCc1nnc2ccccn12)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is DRTDOEWSIJXZSS-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c24-18-10-4-5-11-20(18)33(31,32)28-19(16-17-8-2-1-3-9-17)23(30)25-14-13-22-27-26-21-12-6-7-15-29(21)22/h1-12,15,19,28H,13-14,16H2,(H,25,30)/t19-/m1/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 467.53 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 30539813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).