2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide

C20H23N3O7S — CID 24536047

IUPAC2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1
InChIInChI=1S/C20H23N3O7S/c1-28-15-5-3-14(4-6-15)19(24)21-22-20(25)17-13-16(7-8-18(17)29-2)31(26,27)23-9-11-30-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWMCBIQRIPFNLBF-UHFFFAOYSA-N
MW449.49 g/mol
LogP0.80
Rot. Bonds6

About 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide

2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 24536047) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID24536047
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC Name2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1
InChIInChI=1S/C20H23N3O7S/c1-28-15-5-3-14(4-6-15)19(24)21-22-20(25)17-13-16(7-8-18(17)29-2)31(26,27)23-9-11-30-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWMCBIQRIPFNLBF-UHFFFAOYSA-N
XLogP0.80
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 50.80
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

2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide
CID 43005968
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
1-(4-methoxyphenyl)-3-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiourea
CID 1176488
dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26737021
2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 27845372
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918278
2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 30862218
2-methoxy-5-morpholin-4-ylsulfonyl-N-(4-phenylmethoxyphenyl)benzamide
CID 27843834
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide (CID 24536047) is 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1.
What is the InChIKey of 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is WMCBIQRIPFNLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-28-15-5-3-14(4-6-15)19(24)21-22-20(25)17-13-16(7-8-18(17)29-2)31(26,27)23-9-11-30-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide?
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 449.49 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 24536047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).