N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide

C21H17N3O3S — CID 4928367

IUPACN'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17N3O3S/c1-27-17-11-5-2-8-14(17)20(25)22-23-21(26)24-15-9-3-6-12-18(15)28-19-13-7-4-10-16(19)24/h2-13H,1H3,(H,22,25)(H,23,26)
InChIKeyRZMVRYLDUVACLO-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.35
Rot. Bonds2

About N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide

N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide (PubChem CID 4928367) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide
PubChem CID4928367
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17N3O3S/c1-27-17-11-5-2-8-14(17)20(25)22-23-21(26)24-15-9-3-6-12-18(15)28-19-13-7-4-10-16(19)24/h2-13H,1H3,(H,22,25)(H,23,26)
InChIKeyRZMVRYLDUVACLO-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

N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928260
N'-(3-iodo-4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928295
(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate
CID 2586236
N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide
CID 4928336
3,5-dichloro-N'-(2-methoxybenzoyl)benzohydrazide
CID 17133653
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
2-methoxybenzohydrazide
CID 24051
N'-(2,2-diphenylacetyl)-2-methoxybenzohydrazide
CID 1049928
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
CID 3117713
N'-(3-ethoxypropanoyl)-2-methoxybenzohydrazide
CID 17357908

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide?
The IUPAC name of N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide (CID 4928367) is N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide.
What is the SMILES notation for N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide?
The canonical SMILES for N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide is COc1ccccc1C(=O)NNC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide?
The InChIKey is RZMVRYLDUVACLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-27-17-11-5-2-8-14(17)20(25)22-23-21(26)24-15-9-3-6-12-18(15)28-19-13-7-4-10-16(19)24/h2-13H,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide?
N'-(2-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'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide is sourced from PubChem (CID 4928367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).