4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide

C18H28N4O6S2 — CID 43066002

IUPAC4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C18H28N4O6S2/c1-14-12-22(13-15(2)28-14)30(26,27)21-10-8-20(9-11-21)29(24,25)17-6-4-16(5-7-17)18(23)19-3/h4-7,14-15H,8-13H2,1-3H3,(H,19,23)
InChIKeyCWCNAVPMJAJQTK-UHFFFAOYSA-N
MW460.58 g/mol
LogP-0.29
Rot. Bonds5

About 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide

4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide (PubChem CID 43066002) has the molecular formula C18H28N4O6S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
PubChem CID43066002
Molecular FormulaC18H28N4O6S2
Molecular Weight460.58 g/mol
Exact Mass460.15
IUPAC Name4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C18H28N4O6S2/c1-14-12-22(13-15(2)28-14)30(26,27)21-10-8-20(9-11-21)29(24,25)17-6-4-16(5-7-17)18(23)19-3/h4-7,14-15H,8-13H2,1-3H3,(H,19,23)
InChIKeyCWCNAVPMJAJQTK-UHFFFAOYSA-N
XLogP-0.29
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 43063026
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
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-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide
CID 60958439
(2R)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-methylbutanoic acid
CID 119368860
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide?
The IUPAC name of 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide (CID 43066002) is 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide.
What is the SMILES notation for 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide?
The canonical SMILES for 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1.
What is the InChIKey of 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide?
The InChIKey is CWCNAVPMJAJQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O6S2/c1-14-12-22(13-15(2)28-14)30(26,27)21-10-8-20(9-11-21)29(24,25)17-6-4-16(5-7-17)18(23)19-3/h4-7,14-15H,8-13H2,1-3H3,(H,19,23).
What are the key properties of 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide?
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide has a molecular weight of 460.58 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide is sourced from PubChem (CID 43066002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).