3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide

C20H26N2O5S — CID 30851072

IUPAC3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-25-18-9-8-17(14-19(18)26-2)28(23,24)21-10-11-22-12-13-27-20(15-22)16-6-4-3-5-7-16/h3-9,14,20-21H,10-13,15H2,1-2H3/t20-/m1/s1
InChIKeyRARBNKBHVGINIF-HXUWFJFHSA-N
MW406.50 g/mol
LogP2.06
Rot. Bonds8

About 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide

3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide (PubChem CID 30851072) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
PubChem CID30851072
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-25-18-9-8-17(14-19(18)26-2)28(23,24)21-10-11-22-12-13-27-20(15-22)16-6-4-3-5-7-16/h3-9,14,20-21H,10-13,15H2,1-2H3/t20-/m1/s1
InChIKeyRARBNKBHVGINIF-HXUWFJFHSA-N
XLogP2.06
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16892711
4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892691
2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892761
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
N-[2-fluoro-4-[2-(2-phenylmorpholin-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 16892734
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866566
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide (CID 30851072) is 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is RARBNKBHVGINIF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-25-18-9-8-17(14-19(18)26-2)28(23,24)21-10-11-22-12-13-27-20(15-22)16-6-4-3-5-7-16/h3-9,14,20-21H,10-13,15H2,1-2H3/t20-/m1/s1.
What are the key properties of 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 30851072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).