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

C24H23N5O4S — CID 21060666

IUPAC2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)c1
InChIInChI=1S/C24H23N5O4S/c1-24(2,3)23(30)26-18-9-5-10-19(14-18)29-34(31,32)20-11-4-7-16(13-20)21-27-28-22(33-21)17-8-6-12-25-15-17/h4-15,29H,1-3H3,(H,26,30)
InChIKeyDUPUBKSRVQBVJI-UHFFFAOYSA-N
MW477.55 g/mol
LogP4.58
Rot. Bonds6

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

2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide (PubChem CID 21060666) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
PubChem CID21060666
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)c1
InChIInChI=1S/C24H23N5O4S/c1-24(2,3)23(30)26-18-9-5-10-19(14-18)29-34(31,32)20-11-4-7-16(13-20)21-27-28-22(33-21)17-8-6-12-25-15-17/h4-15,29H,1-3H3,(H,26,30)
InChIKeyDUPUBKSRVQBVJI-UHFFFAOYSA-N
XLogP4.58
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide (CID 21060666) is 2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The InChIKey is DUPUBKSRVQBVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-24(2,3)23(30)26-18-9-5-10-19(14-18)29-34(31,32)20-11-4-7-16(13-20)21-27-28-22(33-21)17-8-6-12-25-15-17/h4-15,29H,1-3H3,(H,26,30).
What are the key properties of 2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide has a molecular weight of 477.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 21060666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).