N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

C24H21ClN6O2S — CID 27709841

IUPACN'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESO=C(CSCc1ccc(Cl)cc1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H21ClN6O2S/c25-21-12-8-18(9-13-21)15-34-16-22(32)26-28-24(33)20-10-6-17(7-11-20)14-31-29-23(27-30-31)19-4-2-1-3-5-19/h1-13H,14-16H2,(H,26,32)(H,28,33)
InChIKeyIUIFZTLRDOJQDA-UHFFFAOYSA-N
MW492.99 g/mol
LogP3.74
Rot. Bonds8

About N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (PubChem CID 27709841) has the molecular formula C24H21ClN6O2S and a molecular weight of 492.99 g/mol. Its IUPAC name is N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
PubChem CID27709841
Molecular FormulaC24H21ClN6O2S
Molecular Weight492.99 g/mol
Exact Mass492.11
IUPAC NameN'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESO=C(CSCc1ccc(Cl)cc1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H21ClN6O2S/c25-21-12-8-18(9-13-21)15-34-16-22(32)26-28-24(33)20-10-6-17(7-11-20)14-31-29-23(27-30-31)19-4-2-1-3-5-19/h1-13H,14-16H2,(H,26,32)(H,28,33)
InChIKeyIUIFZTLRDOJQDA-UHFFFAOYSA-N
XLogP3.74
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 53.74
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'-[2-(4-chlorophenyl)sulfanylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55376043
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55792292
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
N'-[3-(3-chloro-4-methylphenyl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24586128
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
(E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
CID 55376248
3,4-dimethyl-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]benzamide
CID 24541956
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24541975
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The IUPAC name of N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (CID 27709841) is N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The canonical SMILES for N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is O=C(CSCc1ccc(Cl)cc1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The InChIKey is IUIFZTLRDOJQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2S/c25-21-12-8-18(9-13-21)15-34-16-22(32)26-28-24(33)20-10-6-17(7-11-20)14-31-29-23(27-30-31)19-4-2-1-3-5-19/h1-13H,14-16H2,(H,26,32)(H,28,33).
What are the key properties of N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide has a molecular weight of 492.99 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is sourced from PubChem (CID 27709841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).