4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide

C24H40N4O5S — CID 11752335

IUPAC4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(N3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-8-6-21(7-9-28)27-12-10-25(3)11-13-27/h16-17,21H,6-15,18H2,1-5H3
InChIKeySPJUATQTHVQRDT-UHFFFAOYSA-N
MW496.67 g/mol
LogP1.19
Rot. Bonds9

About 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide

4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (PubChem CID 11752335) has the molecular formula C24H40N4O5S and a molecular weight of 496.67 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
PubChem CID11752335
Molecular FormulaC24H40N4O5S
Molecular Weight496.67 g/mol
Exact Mass496.27
IUPAC Name4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(N3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-8-6-21(7-9-28)27-12-10-25(3)11-13-27/h16-17,21H,6-15,18H2,1-5H3
InChIKeySPJUATQTHVQRDT-UHFFFAOYSA-N
XLogP1.19
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.67
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (CID 11752335) is 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(N3CCN(C)CC3)CC2)c(C)c1.
What is the InChIKey of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The InChIKey is SPJUATQTHVQRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-8-6-21(7-9-28)27-12-10-25(3)11-13-27/h16-17,21H,6-15,18H2,1-5H3.
What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide has a molecular weight of 496.67 g/mol, XLogP of 1.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 11752335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).