N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide

C22H17N3O3S — CID 24628583

IUPACN'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccnc2Sc2ccccc2)oc2ccccc12
InChIInChI=1S/C22H17N3O3S/c1-14-16-10-5-6-12-18(16)28-19(14)21(27)25-24-20(26)17-11-7-13-23-22(17)29-15-8-3-2-4-9-15/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyRWXLJYKPFFDXKO-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.36
Rot. Bonds4

About N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide

N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide (PubChem CID 24628583) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide
PubChem CID24628583
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccnc2Sc2ccccc2)oc2ccccc12
InChIInChI=1S/C22H17N3O3S/c1-14-16-10-5-6-12-18(16)28-19(14)21(27)25-24-20(26)17-11-7-13-23-22(17)29-15-8-3-2-4-9-15/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyRWXLJYKPFFDXKO-UHFFFAOYSA-N
XLogP4.36
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.36
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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Related Compounds

3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 27685461
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 108793551
N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 35825658
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 35825702
2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide
CID 55934068
2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 55342888
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide?
The IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide (CID 24628583) is N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide?
The canonical SMILES for N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cccnc2Sc2ccccc2)oc2ccccc12.
What is the InChIKey of N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide?
The InChIKey is RWXLJYKPFFDXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-14-16-10-5-6-12-18(16)28-19(14)21(27)25-24-20(26)17-11-7-13-23-22(17)29-15-8-3-2-4-9-15/h2-13H,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide?
N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide has a molecular weight of 403.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide is sourced from PubChem (CID 24628583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).