4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide

C25H38N6O5S — CID 46175822

IUPAC4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(CC4CCCN(C)C4)CC3)n2)c(C)c1
InChIInChI=1S/C25H38N6O5S/c1-18-13-21(35-5)14-19(2)23(18)37(33,34)29(4)17-22-26-24(36-27-22)25(32)31-11-9-30(10-12-31)16-20-7-6-8-28(3)15-20/h13-14,20H,6-12,15-17H2,1-5H3
InChIKeyQEQZTGDIPOCWGX-UHFFFAOYSA-N
MW534.68 g/mol
LogP1.62
Rot. Bonds8

About 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide

4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (PubChem CID 46175822) has the molecular formula C25H38N6O5S and a molecular weight of 534.68 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
PubChem CID46175822
Molecular FormulaC25H38N6O5S
Molecular Weight534.68 g/mol
Exact Mass534.26
IUPAC Name4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(CC4CCCN(C)C4)CC3)n2)c(C)c1
InChIInChI=1S/C25H38N6O5S/c1-18-13-21(35-5)14-19(2)23(18)37(33,34)29(4)17-22-26-24(36-27-22)25(32)31-11-9-30(10-12-31)16-20-7-6-8-28(3)15-20/h13-14,20H,6-12,15-17H2,1-5H3
InChIKeyQEQZTGDIPOCWGX-UHFFFAOYSA-N
XLogP1.62
TPSA112.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.68
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
CID 46175636
4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
CID 46175724
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 58393274
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide
CID 58393405
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]acetamide
CID 25192957
[5-[[(4-methoxy-2,6-dimethylphenyl)sulfanyl-methylamino]methyl]-1,3,4-oxadiazol-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 143943590
2-[[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]acetyl]amino]-N-methyl-N-[[3-(pyrrolidin-1-ylmethyl)cyclohexyl]methyl]acetamide
CID 59598033
N-[(3-acetyl-1,2-oxazol-5-yl)methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 143943354
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide
CID 58393348
4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[3-(1-methylpiperidin-4-yl)propyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
CID 11341670
3-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethyl]-N-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 123707998
N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 58393022

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (CID 46175822) is 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(CC4CCCN(C)C4)CC3)n2)c(C)c1.
What is the InChIKey of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is QEQZTGDIPOCWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O5S/c1-18-13-21(35-5)14-19(2)23(18)37(33,34)29(4)17-22-26-24(36-27-22)25(32)31-11-9-30(10-12-31)16-20-7-6-8-28(3)15-20/h13-14,20H,6-12,15-17H2,1-5H3.
What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 534.68 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,6-trimethyl-N-[[5-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 46175822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).