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

C23H22N6O4S — CID 21060677

IUPAC2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cnccn4)o3)c2)cc1
InChIInChI=1S/C23H22N6O4S/c1-23(2,3)22(30)26-16-7-9-17(10-8-16)29-34(31,32)18-6-4-5-15(13-18)20-27-28-21(33-20)19-14-24-11-12-25-19/h4-14,29H,1-3H3,(H,26,30)
InChIKeyRWEMCBRYAXEZEU-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.98
Rot. Bonds6

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

2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide (PubChem CID 21060677) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
PubChem CID21060677
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC Name2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cnccn4)o3)c2)cc1
InChIInChI=1S/C23H22N6O4S/c1-23(2,3)22(30)26-16-7-9-17(10-8-16)29-34(31,32)18-6-4-5-15(13-18)20-27-28-21(33-20)19-14-24-11-12-25-19/h4-14,29H,1-3H3,(H,26,30)
InChIKeyRWEMCBRYAXEZEU-UHFFFAOYSA-N
XLogP3.98
TPSA139.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane
CID 142181031
2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060679
3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060695
3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]benzoic acid
CID 171985684
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 50839201
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55526457
3-chloro-2,2-dimethyl-N-[3-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060690
N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 155561483
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]benzenesulfonamide
CID 59680243

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide (CID 21060677) is 2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cnccn4)o3)c2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The InChIKey is RWEMCBRYAXEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-23(2,3)22(30)26-16-7-9-17(10-8-16)29-34(31,32)18-6-4-5-15(13-18)20-27-28-21(33-20)19-14-24-11-12-25-19/h4-14,29H,1-3H3,(H,26,30).
What are the key properties of 2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide has a molecular weight of 478.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 21060677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).