4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide

C20H24N4O3S2 — CID 67246501

IUPAC4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C)c2nc(Cc3ccccc3C)ns2)cc1
InChIInChI=1S/C20H24N4O3S2/c1-15-6-4-5-7-16(15)14-19-22-20(28-23-19)24(2)13-12-21-29(25,26)18-10-8-17(27-3)9-11-18/h4-11,21H,12-14H2,1-3H3
InChIKeyIVKCXHBNNNEQHR-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.86
Rot. Bonds9

About 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide

4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide (PubChem CID 67246501) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
PubChem CID67246501
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C)c2nc(Cc3ccccc3C)ns2)cc1
InChIInChI=1S/C20H24N4O3S2/c1-15-6-4-5-7-16(15)14-19-22-20(28-23-19)24(2)13-12-21-29(25,26)18-10-8-17(27-3)9-11-18/h4-11,21H,12-14H2,1-3H3
InChIKeyIVKCXHBNNNEQHR-UHFFFAOYSA-N
XLogP2.86
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[2-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethyl]benzenesulfonamide
CID 59362045
4-methoxybenzenesulfonyl chloride;4-methoxy-N-[2-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethyl]benzenesulfonamide;N'-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine
CID 161064874
4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068589
4-methoxy-N-methyl-N-[2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 67245434
N-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethyl]thiophene-2-sulfonamide
CID 66879324
N'-(3-benzyl-1,2,4-thiadiazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 66879400
N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 66878627
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694
N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 3830787
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide (CID 67246501) is 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCN(C)c2nc(Cc3ccccc3C)ns2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is IVKCXHBNNNEQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-15-6-4-5-7-16(15)14-19-22-20(28-23-19)24(2)13-12-21-29(25,26)18-10-8-17(27-3)9-11-18/h4-11,21H,12-14H2,1-3H3.
What are the key properties of 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide?
4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 432.57 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 67246501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).