4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

C23H32N2O3S — CID 16892762

IUPAC4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C23H32N2O3S/c1-23(2,3)20-10-12-21(13-11-20)29(26,27)24-14-7-15-25-16-17-28-22(18-25)19-8-5-4-6-9-19/h4-6,8-13,22,24H,7,14-18H2,1-3H3
InChIKeySYOHEJGDYOQGQO-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.73
Rot. Bonds7

About 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (PubChem CID 16892762) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
PubChem CID16892762
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C23H32N2O3S/c1-23(2,3)20-10-12-21(13-11-20)29(26,27)24-14-7-15-25-16-17-28-22(18-25)19-8-5-4-6-9-19/h4-6,8-13,22,24H,7,14-18H2,1-3H3
InChIKeySYOHEJGDYOQGQO-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
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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Related Compounds

4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
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
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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (CID 16892762) is 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The InChIKey is SYOHEJGDYOQGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-23(2,3)20-10-12-21(13-11-20)29(26,27)24-14-7-15-25-16-17-28-22(18-25)19-8-5-4-6-9-19/h4-6,8-13,22,24H,7,14-18H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide has a molecular weight of 416.59 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 16892762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).