N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide

C16H24N4O3S — CID 134018234

IUPACN,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(CC(C)C)no1
InChIInChI=1S/C16H24N4O3S/c1-11(2)8-15-18-16(23-19-15)10-17-14-9-13(7-6-12(14)3)24(21,22)20(4)5/h6-7,9,11,17H,8,10H2,1-5H3
InChIKeyZYLHGVVOLBYKPQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.44
Rot. Bonds7

About N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide

N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide (PubChem CID 134018234) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide
PubChem CID134018234
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(CC(C)C)no1
InChIInChI=1S/C16H24N4O3S/c1-11(2)8-15-18-16(23-19-15)10-17-14-9-13(7-6-12(14)3)24(21,22)20(4)5/h6-7,9,11,17H,8,10H2,1-5H3
InChIKeyZYLHGVVOLBYKPQ-UHFFFAOYSA-N
XLogP2.44
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N,N,4-trimethylbenzenesulfonamide
CID 55409548
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylsulfonylaniline
CID 43074571
N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55918894
N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 61014343
4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 134018323
2-chloro-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 55893231
4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 54924497
4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 47064204
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
N,N-diethyl-4-methoxy-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 31984054
3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N,4-trimethylbenzenesulfonamide
CID 78841896
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 60535051

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide?
The IUPAC name of N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide (CID 134018234) is N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide.
What is the SMILES notation for N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide?
The canonical SMILES for N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(CC(C)C)no1.
What is the InChIKey of N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide?
The InChIKey is ZYLHGVVOLBYKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-11(2)8-15-18-16(23-19-15)10-17-14-9-13(7-6-12(14)3)24(21,22)20(4)5/h6-7,9,11,17H,8,10H2,1-5H3.
What are the key properties of N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide?
N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide is sourced from PubChem (CID 134018234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).