4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide

C23H37N3O5S — CID 43050167

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
SMILESCC(C)CC(CNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1)N1CCOCC1
InChIInChI=1S/C23H37N3O5S/c1-17(2)13-21(25-9-11-30-12-10-25)14-24-23(27)20-5-7-22(8-6-20)32(28,29)26-15-18(3)31-19(4)16-26/h5-8,17-19,21H,9-16H2,1-4H3,(H,24,27)
InChIKeyBSLGTVVBGAMVFS-UHFFFAOYSA-N
MW467.63 g/mol
LogP1.96
Rot. Bonds8

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide (PubChem CID 43050167) has the molecular formula C23H37N3O5S and a molecular weight of 467.63 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
PubChem CID43050167
Molecular FormulaC23H37N3O5S
Molecular Weight467.63 g/mol
Exact Mass467.25
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
SMILESCC(C)CC(CNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1)N1CCOCC1
InChIInChI=1S/C23H37N3O5S/c1-17(2)13-21(25-9-11-30-12-10-25)14-24-23(27)20-5-7-22(8-6-20)32(28,29)26-15-18(3)31-19(4)16-26/h5-8,17-19,21H,9-16H2,1-4H3,(H,24,27)
InChIKeyBSLGTVVBGAMVFS-UHFFFAOYSA-N
XLogP1.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24633664
4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
CID 25331278
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(phenylsulfamoyl)benzamide
CID 43044286
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 96541952
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2S)-2-ethylhexyl]benzamide
CID 8712887
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919107
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55923133
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4814346

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide (CID 43050167) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide is CC(C)CC(CNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1)N1CCOCC1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The InChIKey is BSLGTVVBGAMVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O5S/c1-17(2)13-21(25-9-11-30-12-10-25)14-24-23(27)20-5-7-22(8-6-20)32(28,29)26-15-18(3)31-19(4)16-26/h5-8,17-19,21H,9-16H2,1-4H3,(H,24,27).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide has a molecular weight of 467.63 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide is sourced from PubChem (CID 43050167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).