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

C25H41N3O5S — CID 11488817

IUPAC4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C25H41N3O5S/c1-19-16-23(32-5)17-20(2)25(19)34(30,31)27(4)14-15-33-18-24(29)28-12-8-22(9-13-28)21-6-10-26(3)11-7-21/h16-17,21-22H,6-15,18H2,1-5H3
InChIKeyUIAJWJKEMBCSHS-UHFFFAOYSA-N
MW495.69 g/mol
LogP2.53
Rot. Bonds9

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

4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (PubChem CID 11488817) has the molecular formula C25H41N3O5S and a molecular weight of 495.69 g/mol. Its IUPAC name is 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
PubChem CID11488817
Molecular FormulaC25H41N3O5S
Molecular Weight495.69 g/mol
Exact Mass495.28
IUPAC Name4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C25H41N3O5S/c1-19-16-23(32-5)17-20(2)25(19)34(30,31)27(4)14-15-33-18-24(29)28-12-8-22(9-13-28)21-6-10-26(3)11-7-21/h16-17,21-22H,6-15,18H2,1-5H3
InChIKeyUIAJWJKEMBCSHS-UHFFFAOYSA-N
XLogP2.53
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (CID 11488817) is 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-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)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(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)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The InChIKey is UIAJWJKEMBCSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O5S/c1-19-16-23(32-5)17-20(2)25(19)34(30,31)27(4)14-15-33-18-24(29)28-12-8-22(9-13-28)21-6-10-26(3)11-7-21/h16-17,21-22H,6-15,18H2,1-5H3.
What are the key properties of 4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide has a molecular weight of 495.69 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 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)piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 11488817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).