3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide

C22H27N3O8S — CID 5025592

IUPAC3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C22H27N3O8S/c1-30-17-12-16(13-18(14-17)31-2)22(27)24-23-21(26)11-15-4-5-19(32-3)20(10-15)34(28,29)25-6-8-33-9-7-25/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPCPYQIBIBRNIOO-UHFFFAOYSA-N
MW493.54 g/mol
LogP0.74
Rot. Bonds8

About 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide

3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide (PubChem CID 5025592) has the molecular formula C22H27N3O8S and a molecular weight of 493.54 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide
PubChem CID5025592
Molecular FormulaC22H27N3O8S
Molecular Weight493.54 g/mol
Exact Mass493.15
IUPAC Name3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C22H27N3O8S/c1-30-17-12-16(13-18(14-17)31-2)22(27)24-23-21(26)11-15-4-5-19(32-3)20(10-15)34(28,29)25-6-8-33-9-7-25/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPCPYQIBIBRNIOO-UHFFFAOYSA-N
XLogP0.74
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528547
3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide
CID 135298611
N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2514778
3,4,5-trimethoxy-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 1109017
4-methoxy-N'-[4-(morpholine-4-sulfonyl)benzoyl]benzohydrazide
CID 1146584
N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2445888
N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide
CID 5052428
N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24637660
N,N-dimethyl-3-[[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 2090646
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 16301264
N'-(3,5-Dimethoxybenzoyl)benzenesulfonohydrazide
CID 3136228
N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2539178

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide (CID 5025592) is 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide?
The InChIKey is PCPYQIBIBRNIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O8S/c1-30-17-12-16(13-18(14-17)31-2)22(27)24-23-21(26)11-15-4-5-19(32-3)20(10-15)34(28,29)25-6-8-33-9-7-25/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide?
3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide has a molecular weight of 493.54 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 5025592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).