3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide

C24H22FN5O4S — CID 21060695

IUPAC3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(CF)C(=O)Nc1cccc(NS(=O)(=O)c2cccc(-c3nnc(-c4ccccn4)o3)c2)c1
InChIInChI=1S/C24H22FN5O4S/c1-24(2,15-25)23(31)27-17-8-6-9-18(14-17)30-35(32,33)19-10-5-7-16(13-19)21-28-29-22(34-21)20-11-3-4-12-26-20/h3-14,30H,15H2,1-2H3,(H,27,31)
InChIKeyPBRZQCABOVOQEB-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.53
Rot. Bonds8

About 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide

3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide (PubChem CID 21060695) has the molecular formula C24H22FN5O4S and a molecular weight of 495.54 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
PubChem CID21060695
Molecular FormulaC24H22FN5O4S
Molecular Weight495.54 g/mol
Exact Mass495.14
IUPAC Name3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(CF)C(=O)Nc1cccc(NS(=O)(=O)c2cccc(-c3nnc(-c4ccccn4)o3)c2)c1
InChIInChI=1S/C24H22FN5O4S/c1-24(2,15-25)23(31)27-17-8-6-9-18(14-17)30-35(32,33)19-10-5-7-16(13-19)21-28-29-22(34-21)20-11-3-4-12-26-20/h3-14,30H,15H2,1-2H3,(H,27,31)
InChIKeyPBRZQCABOVOQEB-UHFFFAOYSA-N
XLogP4.53
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The IUPAC name of 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide (CID 21060695) is 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The canonical SMILES for 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide is CC(C)(CF)C(=O)Nc1cccc(NS(=O)(=O)c2cccc(-c3nnc(-c4ccccn4)o3)c2)c1.
What is the InChIKey of 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The InChIKey is PBRZQCABOVOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4S/c1-24(2,15-25)23(31)27-17-8-6-9-18(14-17)30-35(32,33)19-10-5-7-16(13-19)21-28-29-22(34-21)20-11-3-4-12-26-20/h3-14,30H,15H2,1-2H3,(H,27,31).
What are the key properties of 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide has a molecular weight of 495.54 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 21060695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).