3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide

C23H29N3O6S — CID 25485174

IUPAC3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1
InChIInChI=1S/C23H29N3O6S/c1-15-8-9-16(2)21(10-15)31-14-22(27)24-25-23(28)19-6-5-7-20(11-19)33(29,30)26-12-17(3)32-18(4)13-26/h5-11,17-18H,12-14H2,1-4H3,(H,24,27)(H,25,28)/t17-,18-/m0/s1
InChIKeyHZGUEIVXWUBLPL-ROUUACIJSA-N
MW475.57 g/mol
LogP1.94
Rot. Bonds6

About 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide

3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide (PubChem CID 25485174) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
PubChem CID25485174
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1
InChIInChI=1S/C23H29N3O6S/c1-15-8-9-16(2)21(10-15)31-14-22(27)24-25-23(28)19-6-5-7-20(11-19)33(29,30)26-12-17(3)32-18(4)13-26/h5-11,17-18H,12-14H2,1-4H3,(H,24,27)(H,25,28)/t17-,18-/m0/s1
InChIKeyHZGUEIVXWUBLPL-ROUUACIJSA-N
XLogP1.94
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide
CID 27569057
3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 55566297
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
CID 43002278
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 4884718
(4-methylphenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764714
[2-(methylamino)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16525926
(2-methylphenyl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16578208
(2-methylphenyl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661132
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
N-[2-(4-chlorophenoxy)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43027985

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide (CID 25485174) is 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1.
What is the InChIKey of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide?
The InChIKey is HZGUEIVXWUBLPL-ROUUACIJSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-15-8-9-16(2)21(10-15)31-14-22(27)24-25-23(28)19-6-5-7-20(11-19)33(29,30)26-12-17(3)32-18(4)13-26/h5-11,17-18H,12-14H2,1-4H3,(H,24,27)(H,25,28)/t17-,18-/m0/s1.
What are the key properties of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide?
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide has a molecular weight of 475.57 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 25485174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).