4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide

C25H42N4O5S — CID 11260745

IUPAC4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCN(CC3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C25H42N4O5S/c1-20-16-23(33-5)17-21(2)25(20)35(31,32)27(4)14-15-34-19-24(30)29-12-10-28(11-13-29)18-22-6-8-26(3)9-7-22/h16-17,22H,6-15,18-19H2,1-5H3
InChIKeyCUNMQRLIYWNEQE-UHFFFAOYSA-N
MW510.70 g/mol
LogP1.44
Rot. Bonds10

About 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide

4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (PubChem CID 11260745) has the molecular formula C25H42N4O5S and a molecular weight of 510.70 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
PubChem CID11260745
Molecular FormulaC25H42N4O5S
Molecular Weight510.70 g/mol
Exact Mass510.29
IUPAC Name4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCN(CC3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C25H42N4O5S/c1-20-16-23(33-5)17-21(2)25(20)35(31,32)27(4)14-15-34-19-24(30)29-12-10-28(11-13-29)18-22-6-8-26(3)9-7-22/h16-17,22H,6-15,18-19H2,1-5H3
InChIKeyCUNMQRLIYWNEQE-UHFFFAOYSA-N
XLogP1.44
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.70
LogP ≤ 51.44
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-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (CID 11260745) is 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCN(CC3CCN(C)CC3)CC2)c(C)c1.
What is the InChIKey of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The InChIKey is CUNMQRLIYWNEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O5S/c1-20-16-23(33-5)17-21(2)25(20)35(31,32)27(4)14-15-34-19-24(30)29-12-10-28(11-13-29)18-22-6-8-26(3)9-7-22/h16-17,22H,6-15,18-19H2,1-5H3.
What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide has a molecular weight of 510.70 g/mol, XLogP of 1.44, 10 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-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 11260745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).