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

C27H30FN5O4S — CID 142181031

IUPAC3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane
SMILESCC(C)(CF)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)cc1.CCC
InChIInChI=1S/C24H22FN5O4S.C3H8/c1-24(2,15-25)23(31)27-18-8-10-19(11-9-18)30-35(32,33)20-7-3-5-16(13-20)21-28-29-22(34-21)17-6-4-12-26-14-17;1-3-2/h3-14,30H,15H2,1-2H3,(H,27,31);3H2,1-2H3
InChIKeyDURGIMHSFSVCDM-UHFFFAOYSA-N
MW539.63 g/mol
LogP5.95
Rot. Bonds8

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

3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane (PubChem CID 142181031) has the molecular formula C27H30FN5O4S and a molecular weight of 539.63 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane
PubChem CID142181031
Molecular FormulaC27H30FN5O4S
Molecular Weight539.63 g/mol
Exact Mass539.20
IUPAC Name3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane
SMILESCC(C)(CF)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)cc1.CCC
InChIInChI=1S/C24H22FN5O4S.C3H8/c1-24(2,15-25)23(31)27-18-8-10-19(11-9-18)30-35(32,33)20-7-3-5-16(13-20)21-28-29-22(34-21)17-6-4-12-26-14-17;1-3-2/h3-14,30H,15H2,1-2H3,(H,27,31);3H2,1-2H3
InChIKeyDURGIMHSFSVCDM-UHFFFAOYSA-N
XLogP5.95
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.63
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-2,2-dimethyl-N-[4-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060691
3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060695
2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060677
2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060679
3-chloro-2,2-dimethyl-N-[3-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060690
N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
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CID 110865862
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane?
The IUPAC name of 3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane (CID 142181031) is 3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane?
The canonical SMILES for 3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane is CC(C)(CF)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)cc1.CCC.
What is the InChIKey of 3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane?
The InChIKey is DURGIMHSFSVCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4S.C3H8/c1-24(2,15-25)23(31)27-18-8-10-19(11-9-18)30-35(32,33)20-7-3-5-16(13-20)21-28-29-22(34-21)17-6-4-12-26-14-17;1-3-2/h3-14,30H,15H2,1-2H3,(H,27,31);3H2,1-2H3.
What are the key properties of 3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane?
3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane has a molecular weight of 539.63 g/mol, XLogP of 5.95, 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-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane is sourced from PubChem (CID 142181031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).