N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

C23H37N3O4S — CID 55629229

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)NCCCN3CC(C)OC(C)C3)c2)C1
InChIInChI=1S/C23H37N3O4S/c1-17-11-18(2)14-26(13-17)31(28,29)22-8-5-7-21(12-22)23(27)24-9-6-10-25-15-19(3)30-20(4)16-25/h5,7-8,12,17-20H,6,9-11,13-16H2,1-4H3,(H,24,27)
InChIKeyFOIXQUXORXHPJY-UHFFFAOYSA-N
MW451.63 g/mol
LogP2.58
Rot. Bonds7

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55629229) has the molecular formula C23H37N3O4S and a molecular weight of 451.63 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55629229
Molecular FormulaC23H37N3O4S
Molecular Weight451.63 g/mol
Exact Mass451.25
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)NCCCN3CC(C)OC(C)C3)c2)C1
InChIInChI=1S/C23H37N3O4S/c1-17-11-18(2)14-26(13-17)31(28,29)22-8-5-7-21(12-22)23(27)24-9-6-10-25-15-19(3)30-20(4)16-25/h5,7-8,12,17-20H,6,9-11,13-16H2,1-4H3,(H,24,27)
InChIKeyFOIXQUXORXHPJY-UHFFFAOYSA-N
XLogP2.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742045
N-[3-(dimethylamino)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 78781185
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407954
N-(3-butoxypropyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46799032
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53314248
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 7905794
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533218

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (CID 55629229) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)NCCCN3CC(C)OC(C)C3)c2)C1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is FOIXQUXORXHPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4S/c1-17-11-18(2)14-26(13-17)31(28,29)22-8-5-7-21(12-22)23(27)24-9-6-10-25-15-19(3)30-20(4)16-25/h5,7-8,12,17-20H,6,9-11,13-16H2,1-4H3,(H,24,27).
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 451.63 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55629229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).