N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide

C19H17N3O2S — CID 4807845

IUPACN'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
SMILESCSc1ccccc1C(=O)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C19H17N3O2S/c1-25-17-11-5-3-9-15(17)19(24)21-20-18(23)14-8-2-4-10-16(14)22-12-6-7-13-22/h2-13H,1H3,(H,20,23)(H,21,24)
InChIKeyRJTWVAFMOQAPEK-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.27
Rot. Bonds4

About N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide

N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide (PubChem CID 4807845) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
PubChem CID4807845
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
SMILESCSc1ccccc1C(=O)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C19H17N3O2S/c1-25-17-11-5-3-9-15(17)19(24)21-20-18(23)14-8-2-4-10-16(14)22-12-6-7-13-22/h2-13H,1H3,(H,20,23)(H,21,24)
InChIKeyRJTWVAFMOQAPEK-UHFFFAOYSA-N
XLogP3.27
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.27
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

2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide
CID 7996121
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
CID 4807808
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
CID 27673727
N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 1481245
N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide
CID 26798777
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]butan-2-yl]benzamide
CID 29266182
1-cyclopropyl-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea
CID 4774855
4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 166394212
1-(4-ethylphenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea
CID 7988164
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
N-[4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070358

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide (CID 4807845) is N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide is CSc1ccccc1C(=O)NNC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is RJTWVAFMOQAPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-25-17-11-5-3-9-15(17)19(24)21-20-18(23)14-8-2-4-10-16(14)22-12-6-7-13-22/h2-13H,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide?
N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 351.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 4807845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).