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

C22H30N2O3S — CID 51866566

IUPAC2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)c1C
InChIInChI=1S/C22H30N2O3S/c1-16-14-17(2)19(4)22(18(16)3)28(25,26)23-10-11-24-12-13-27-21(15-24)20-8-6-5-7-9-20/h5-9,14,21,23H,10-13,15H2,1-4H3/t21-/m0/s1
InChIKeyDSVKXKZDVDOYOW-NRFANRHFSA-N
MW402.56 g/mol
LogP3.27
Rot. Bonds6

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

2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide (PubChem CID 51866566) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
PubChem CID51866566
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)c1C
InChIInChI=1S/C22H30N2O3S/c1-16-14-17(2)19(4)22(18(16)3)28(25,26)23-10-11-24-12-13-27-21(15-24)20-8-6-5-7-9-20/h5-9,14,21,23H,10-13,15H2,1-4H3/t21-/m0/s1
InChIKeyDSVKXKZDVDOYOW-NRFANRHFSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
2-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892682
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16892711
3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072
1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide
CID 16892749
N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide
CID 16892719
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide (CID 51866566) is 2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is DSVKXKZDVDOYOW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-16-14-17(2)19(4)22(18(16)3)28(25,26)23-10-11-24-12-13-27-21(15-24)20-8-6-5-7-9-20/h5-9,14,21,23H,10-13,15H2,1-4H3/t21-/m0/s1.
What are the key properties of 2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.27, 6 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-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 51866566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).