2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

C23H32N2O3S — CID 16892775

IUPAC2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)c1C
InChIInChI=1S/C23H32N2O3S/c1-17-15-18(2)20(4)23(19(17)3)29(26,27)24-11-8-12-25-13-14-28-22(16-25)21-9-6-5-7-10-21/h5-7,9-10,15,22,24H,8,11-14,16H2,1-4H3
InChIKeyTWKFIOZNVZGJSU-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.66
Rot. Bonds7

About 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (PubChem CID 16892775) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
PubChem CID16892775
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)c1C
InChIInChI=1S/C23H32N2O3S/c1-17-15-18(2)20(4)23(19(17)3)29(26,27)24-11-8-12-25-13-14-28-22(16-25)21-9-6-5-7-10-21/h5-7,9-10,15,22,24H,8,11-14,16H2,1-4H3
InChIKeyTWKFIOZNVZGJSU-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (CID 16892775) is 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The InChIKey is TWKFIOZNVZGJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-17-15-18(2)20(4)23(19(17)3)29(26,27)24-11-8-12-25-13-14-28-22(16-25)21-9-6-5-7-10-21/h5-7,9-10,15,22,24H,8,11-14,16H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide has a molecular weight of 416.59 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 16892775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).