N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide

C18H22N4O3S2 — CID 24616632

IUPACN-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C18H22N4O3S2/c1-3-4-10-22(2)27(23,24)16-7-5-15(6-8-16)19-12-17-20-18(21-25-17)14-9-11-26-13-14/h5-9,11,13,19H,3-4,10,12H2,1-2H3
InChIKeyRMPKTXQDFYHDSL-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.83
Rot. Bonds9

About N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide

N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide (PubChem CID 24616632) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
PubChem CID24616632
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC NameN-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C18H22N4O3S2/c1-3-4-10-22(2)27(23,24)16-7-5-15(6-8-16)19-12-17-20-18(21-25-17)14-9-11-26-13-14/h5-9,11,13,19H,3-4,10,12H2,1-2H3
InChIKeyRMPKTXQDFYHDSL-UHFFFAOYSA-N
XLogP3.83
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide with MolForge

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Related Compounds

methyl 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 17453489
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 75426047
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26707676
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539230
4-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butanoic acid
CID 55006126
2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60696504
2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 55917418
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522
[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 8925854
2-[2-(dimethylamino)ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 107425703

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide (CID 24616632) is N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1.
What is the InChIKey of N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide?
The InChIKey is RMPKTXQDFYHDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c1-3-4-10-22(2)27(23,24)16-7-5-15(6-8-16)19-12-17-20-18(21-25-17)14-9-11-26-13-14/h5-9,11,13,19H,3-4,10,12H2,1-2H3.
What are the key properties of N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide?
N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 24616632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).