N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide

C24H23N3O2S — CID 4928336

IUPACN'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C24H23N3O2S/c1-24(2,3)17-14-12-16(13-15-17)22(28)25-26-23(29)27-18-8-4-6-10-20(18)30-21-11-7-5-9-19(21)27/h4-15H,1-3H3,(H,25,28)(H,26,29)
InChIKeyIRFGHWNRMQHPGC-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.64
Rot. Bonds1

About N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide

N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide (PubChem CID 4928336) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide
PubChem CID4928336
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C24H23N3O2S/c1-24(2,3)17-14-12-16(13-15-17)22(28)25-26-23(29)27-18-8-4-6-10-20(18)30-21-11-7-5-9-19(21)27/h4-15H,1-3H3,(H,25,28)(H,26,29)
InChIKeyIRFGHWNRMQHPGC-UHFFFAOYSA-N
XLogP5.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
4-tert-butyl-N'-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]benzohydrazide
CID 9327474
tert-butyl 4-[(3-oxo-3-phenothiazin-10-ylpropyl)carbamoyl]benzoate
CID 1454911
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
CID 705761
N'-(4-tert-butylphenyl)benzohydrazide
CID 2813094
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide
CID 4928252
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570
dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium
CID 4086597

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide?
The IUPAC name of N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide (CID 4928336) is N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide.
What is the SMILES notation for N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide?
The canonical SMILES for N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide?
The InChIKey is IRFGHWNRMQHPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-24(2,3)17-14-12-16(13-15-17)22(28)25-26-23(29)27-18-8-4-6-10-20(18)30-21-11-7-5-9-19(21)27/h4-15H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide?
N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide has a molecular weight of 417.53 g/mol, XLogP of 5.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide is sourced from PubChem (CID 4928336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).