N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide

C21H17N3O3S — CID 4928260

IUPACN'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H17N3O3S/c1-27-15-12-10-14(11-13-15)20(25)22-23-21(26)24-16-6-2-4-8-18(16)28-19-9-5-3-7-17(19)24/h2-13H,1H3,(H,22,25)(H,23,26)
InChIKeyOPBWQVKKNOFMPF-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.35
Rot. Bonds2

About N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide

N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide (PubChem CID 4928260) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide
PubChem CID4928260
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H17N3O3S/c1-27-15-12-10-14(11-13-15)20(25)22-23-21(26)24-16-6-2-4-8-18(16)28-19-9-5-3-7-17(19)24/h2-13H,1H3,(H,22,25)(H,23,26)
InChIKeyOPBWQVKKNOFMPF-UHFFFAOYSA-N
XLogP4.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217
N'-(3-iodo-4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928295
N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928367
N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide
CID 4928252
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
CID 24536054
methyl 10-carbonochloridoylphenothiazine-3-carboxylate
CID 154117249
4-methoxy-N'-[2-(2-methoxyphenoxy)propanoyl]benzohydrazide
CID 4943348
[4-(4-methoxyphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 982285

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide?
The IUPAC name of N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide (CID 4928260) is N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide.
What is the SMILES notation for N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide?
The canonical SMILES for N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide is COc1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide?
The InChIKey is OPBWQVKKNOFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-27-15-12-10-14(11-13-15)20(25)22-23-21(26)24-16-6-2-4-8-18(16)28-19-9-5-3-7-17(19)24/h2-13H,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide?
N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide has a molecular weight of 391.45 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide is sourced from PubChem (CID 4928260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).