N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide

C21H24FN5O4S — CID 21061433

IUPACN-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
SMILESCC(C)(CF)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3noc(CCN)n3)cc2)cc1
InChIInChI=1S/C21H24FN5O4S/c1-21(2,13-22)20(28)24-15-5-7-16(8-6-15)27-32(29,30)17-9-3-14(4-10-17)19-25-18(11-12-23)31-26-19/h3-10,27H,11-13,23H2,1-2H3,(H,24,28)
InChIKeyRDAUTOZQYMXQQE-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.97
Rot. Bonds9

About N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide

N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide (PubChem CID 21061433) has the molecular formula C21H24FN5O4S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
PubChem CID21061433
Molecular FormulaC21H24FN5O4S
Molecular Weight461.52 g/mol
Exact Mass461.15
IUPAC NameN-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
SMILESCC(C)(CF)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3noc(CCN)n3)cc2)cc1
InChIInChI=1S/C21H24FN5O4S/c1-21(2,13-22)20(28)24-15-5-7-16(8-6-15)27-32(29,30)17-9-3-14(4-10-17)19-25-18(11-12-23)31-26-19/h3-10,27H,11-13,23H2,1-2H3,(H,24,28)
InChIKeyRDAUTOZQYMXQQE-UHFFFAOYSA-N
XLogP2.97
TPSA140.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 58714494
N-[3-[[4-[5-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
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3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060727
N-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide (CID 21061433) is N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide is CC(C)(CF)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3noc(CCN)n3)cc2)cc1.
What is the InChIKey of N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide?
The InChIKey is RDAUTOZQYMXQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O4S/c1-21(2,13-22)20(28)24-15-5-7-16(8-6-15)27-32(29,30)17-9-3-14(4-10-17)19-25-18(11-12-23)31-26-19/h3-10,27H,11-13,23H2,1-2H3,(H,24,28).
What are the key properties of N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide?
N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide has a molecular weight of 461.52 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 21061433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).