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

C25H24N4O4S — CID 21060679

IUPAC2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C25H24N4O4S/c1-25(2,3)24(30)26-19-11-13-20(14-12-19)29-34(31,32)21-15-9-18(10-16-21)23-28-27-22(33-23)17-7-5-4-6-8-17/h4-16,29H,1-3H3,(H,26,30)
InChIKeyYFZGIBXUUGLDDU-UHFFFAOYSA-N
MW476.56 g/mol
LogP5.19
Rot. Bonds6

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

2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide (PubChem CID 21060679) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
PubChem CID21060679
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C25H24N4O4S/c1-25(2,3)24(30)26-19-11-13-20(14-12-19)29-34(31,32)21-15-9-18(10-16-21)23-28-27-22(33-23)17-7-5-4-6-8-17/h4-16,29H,1-3H3,(H,26,30)
InChIKeyYFZGIBXUUGLDDU-UHFFFAOYSA-N
XLogP5.19
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2,2-dimethyl-N-[3-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060690
2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide
CID 155969236
2,2-dimethyl-N-[4-[[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060677
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 4927444
3-chloro-2,2-dimethyl-N-[4-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060691
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide
CID 134878844
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
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide
CID 142036807
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide (CID 21060679) is 2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
The InChIKey is YFZGIBXUUGLDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-25(2,3)24(30)26-19-11-13-20(14-12-19)29-34(31,32)21-15-9-18(10-16-21)23-28-27-22(33-23)17-7-5-4-6-8-17/h4-16,29H,1-3H3,(H,26,30).
What are the key properties of 2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide?
2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide has a molecular weight of 476.56 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 21060679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).