N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide

C18H28N4O6S2 — CID 43063026

IUPACN-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(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)18-6-4-17(5-7-18)19-16(3)23/h4-7,14-15H,8-13H2,1-3H3,(H,19,23)
InChIKeyFZXBZTWOSWRPNH-UHFFFAOYSA-N
MW460.58 g/mol
LogP0.31
Rot. Bonds5

About N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 43063026) has the molecular formula C18H28N4O6S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID43063026
Molecular FormulaC18H28N4O6S2
Molecular Weight460.58 g/mol
Exact Mass460.15
IUPAC NameN-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(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)18-6-4-17(5-7-18)19-16(3)23/h4-7,14-15H,8-13H2,1-3H3,(H,19,23)
InChIKeyFZXBZTWOSWRPNH-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
CID 43066002
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51152560
N-[4-(2-methyl-6-phenylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 47958927
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8899749
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
dimethyl (E)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]but-2-enedioate
CID 168570463
2-(4-bromoanilino)-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 43015942

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide (CID 43063026) is N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is FZXBZTWOSWRPNH-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)18-6-4-17(5-7-18)19-16(3)23/h4-7,14-15H,8-13H2,1-3H3,(H,19,23).
What are the key properties of N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 460.58 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 43063026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).