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

C24H36N6O5S — CID 46175724

IUPAC4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(CCN4CCCC4)CC3)n2)c(C)c1
InChIInChI=1S/C24H36N6O5S/c1-18-15-20(34-4)16-19(2)22(18)36(32,33)27(3)17-21-25-23(35-26-21)24(31)30-13-11-29(12-14-30)10-9-28-7-5-6-8-28/h15-16H,5-14,17H2,1-4H3
InChIKeyRXIXZLDYKLQYKQ-UHFFFAOYSA-N
MW520.66 g/mol
LogP1.37
Rot. Bonds9

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

4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (PubChem CID 46175724) has the molecular formula C24H36N6O5S and a molecular weight of 520.66 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
PubChem CID46175724
Molecular FormulaC24H36N6O5S
Molecular Weight520.66 g/mol
Exact Mass520.25
IUPAC Name4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(CCN4CCCC4)CC3)n2)c(C)c1
InChIInChI=1S/C24H36N6O5S/c1-18-15-20(34-4)16-19(2)22(18)36(32,33)27(3)17-21-25-23(35-26-21)24(31)30-13-11-29(12-14-30)10-9-28-7-5-6-8-28/h15-16H,5-14,17H2,1-4H3
InChIKeyRXIXZLDYKLQYKQ-UHFFFAOYSA-N
XLogP1.37
TPSA112.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide
CID 58393348
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 67329402
3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]phenyl]propanamide
CID 24849236
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
4-methoxy-N,2,6-trimethyl-N-[3-oxo-4-[4-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]cyclohexyl]butyl]benzenesulfonamide
CID 58116032
N-[(3-acetyl-1,2-oxazol-5-yl)methyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 143943354
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(3R)-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 59597780
4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
CID 11489578
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
4-methoxy-N-[[5-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-N,2,6-trimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 67330307

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 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) is 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)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-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(CCN4CCCC4)CC3)n2)c(C)c1.
What is the InChIKey of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is RXIXZLDYKLQYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O5S/c1-18-15-20(34-4)16-19(2)22(18)36(32,33)27(3)17-21-25-23(35-26-21)24(31)30-13-11-29(12-14-30)10-9-28-7-5-6-8-28/h15-16H,5-14,17H2,1-4H3.
What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
4-methoxy-N,2,6-trimethyl-N-[[5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 520.66 g/mol, XLogP of 1.37, 9 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-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 46175724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).