N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

C19H22N4O3S — CID 983424

IUPACN'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N4O3S/c1-13-17(23-12-6-5-7-16(23)20-13)18(24)21-22-27(25,26)15-10-8-14(9-11-15)19(2,3)4/h5-12,22H,1-4H3,(H,21,24)
InChIKeyQPQGNQOKESVLFR-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.56
Rot. Bonds4

About N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 983424) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID983424
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N4O3S/c1-13-17(23-12-6-5-7-16(23)20-13)18(24)21-22-27(25,26)15-10-8-14(9-11-15)19(2,3)4/h5-12,22H,1-4H3,(H,21,24)
InChIKeyQPQGNQOKESVLFR-UHFFFAOYSA-N
XLogP2.56
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (CID 983424) is N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is QPQGNQOKESVLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-17(23-12-6-5-7-16(23)20-13)18(24)21-22-27(25,26)15-10-8-14(9-11-15)19(2,3)4/h5-12,22H,1-4H3,(H,21,24).
What are the key properties of N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 386.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 983424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).