N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide

C22H27N3O7S — CID 5052428

IUPACN'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)c1
InChIInChI=1S/C22H27N3O7S/c1-14-12-25(13-15(2)32-14)33(28,29)20-7-5-16(6-8-20)21(26)23-24-22(27)17-9-18(30-3)11-19(10-17)31-4/h5-11,14-15H,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyDHOUCTXFXZNCHI-UHFFFAOYSA-N
MW477.54 g/mol
LogP1.58
Rot. Bonds6

About N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide

N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide (PubChem CID 5052428) has the molecular formula C22H27N3O7S and a molecular weight of 477.54 g/mol. Its IUPAC name is N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide
PubChem CID5052428
Molecular FormulaC22H27N3O7S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC NameN'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)c1
InChIInChI=1S/C22H27N3O7S/c1-14-12-25(13-15(2)32-14)33(28,29)20-7-5-16(6-8-20)21(26)23-24-22(27)17-9-18(30-3)11-19(10-17)31-4/h5-11,14-15H,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyDHOUCTXFXZNCHI-UHFFFAOYSA-N
XLogP1.58
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-(morpholin-4-yl)benzamide
CID 4215570
N'-(benzenesulfonyl)-3-propoxybenzohydrazide
CID 124132112
N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide
CID 135298549
3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide
CID 135298611
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
4-((2,6-dimethylmorpholino)sulfonyl)-N'-(4-methoxybenzoyl)benzohydrazide
CID 4423007
4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 4835997
3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide
CID 5025592
3-Methoxy-N'-(4-methylbenzenesulfonyl)benzohydrazide
CID 813097
N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2514778
N'-(benzenesulfonyl)-3-butoxybenzohydrazide
CID 135298529
N'-(4-Fluorobenzenesulfonyl)-3,5-dimethoxybenzohydrazide
CID 1103458

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide (CID 5052428) is N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)c1.
What is the InChIKey of N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide?
The InChIKey is DHOUCTXFXZNCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7S/c1-14-12-25(13-15(2)32-14)33(28,29)20-7-5-16(6-8-20)21(26)23-24-22(27)17-9-18(30-3)11-19(10-17)31-4/h5-11,14-15H,12-13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide?
N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide has a molecular weight of 477.54 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 5052428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).