4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide

C22H30N2O3S — CID 8845033

IUPAC4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-22(2,3)19-9-11-20(12-10-19)28(25,26)23-21(18-7-5-4-6-8-18)17-24-13-15-27-16-14-24/h4-12,21,23H,13-17H2,1-3H3/t21-/m1/s1
InChIKeyCIPAEYUTOAPEBL-OAQYLSRUSA-N
MW402.56 g/mol
LogP3.34
Rot. Bonds6

About 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide

4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide (PubChem CID 8845033) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
PubChem CID8845033
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-22(2,3)19-9-11-20(12-10-19)28(25,26)23-21(18-7-5-4-6-8-18)17-24-13-15-27-16-14-24/h4-12,21,23H,13-17H2,1-3H3/t21-/m1/s1
InChIKeyCIPAEYUTOAPEBL-OAQYLSRUSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8844992
4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845032
2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845093
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845190
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
CID 8844499
2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 8844524
(E)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845009
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 112804329

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide (CID 8845033) is 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The InChIKey is CIPAEYUTOAPEBL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-22(2,3)19-9-11-20(12-10-19)28(25,26)23-21(18-7-5-4-6-8-18)17-24-13-15-27-16-14-24/h4-12,21,23H,13-17H2,1-3H3/t21-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 8845033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).