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

C25H24N6O2S — CID 55792292

IUPACN'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESCC(SCc1ccccc1)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H24N6O2S/c1-18(34-17-20-8-4-2-5-9-20)24(32)27-28-25(33)22-14-12-19(13-15-22)16-31-29-23(26-30-31)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,27,32)(H,28,33)
InChIKeyGHELGHUIQWZDRD-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.47
Rot. Bonds8

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

N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (PubChem CID 55792292) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
PubChem CID55792292
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC NameN'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESCC(SCc1ccccc1)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H24N6O2S/c1-18(34-17-20-8-4-2-5-9-20)24(32)27-28-25(33)22-14-12-19(13-15-22)16-31-29-23(26-30-31)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,27,32)(H,28,33)
InChIKeyGHELGHUIQWZDRD-UHFFFAOYSA-N
XLogP3.47
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.47
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

N'-[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 95149481
N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 27709841
2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
CID 35853173
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46491518
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The IUPAC name of N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (CID 55792292) is N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The canonical SMILES for N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is CC(SCc1ccccc1)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The InChIKey is GHELGHUIQWZDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-18(34-17-20-8-4-2-5-9-20)24(32)27-28-25(33)22-14-12-19(13-15-22)16-31-29-23(26-30-31)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,27,32)(H,28,33).
What are the key properties of N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide has a molecular weight of 472.57 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is sourced from PubChem (CID 55792292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).