2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide

C24H22N6O2S — CID 24658106

IUPAC2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
SMILESCCSc1ccccc1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N6O2S/c1-2-33-21-11-7-6-10-20(21)24(32)27-26-23(31)19-14-12-17(13-15-19)16-30-28-22(25-29-30)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,26,31)(H,27,32)
InChIKeyCFXPIQHHINKMGV-UHFFFAOYSA-N
MW458.55 g/mol
LogP3.58
Rot. Bonds7

About 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide

2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide (PubChem CID 24658106) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
PubChem CID24658106
Molecular FormulaC24H22N6O2S
Molecular Weight458.55 g/mol
Exact Mass458.15
IUPAC Name2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
SMILESCCSc1ccccc1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N6O2S/c1-2-33-21-11-7-6-10-20(21)24(32)27-26-23(31)19-14-12-17(13-15-19)16-30-28-22(25-29-30)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,26,31)(H,27,32)
InChIKeyCFXPIQHHINKMGV-UHFFFAOYSA-N
XLogP3.58
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55792292
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55376043
N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
CID 154859144
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 95149481

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The IUPAC name of 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide (CID 24658106) is 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide.
What is the SMILES notation for 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The canonical SMILES for 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide is CCSc1ccccc1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The InChIKey is CFXPIQHHINKMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-2-33-21-11-7-6-10-20(21)24(32)27-26-23(31)19-14-12-17(13-15-19)16-30-28-22(25-29-30)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,26,31)(H,27,32).
What are the key properties of 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide has a molecular weight of 458.55 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide is sourced from PubChem (CID 24658106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).