2-benzylsulfanyl-4-(methoxyamino)benzohydrazide

C15H17N3O2S — CID 155063388

IUPAC2-benzylsulfanyl-4-(methoxyamino)benzohydrazide
SMILESCONc1ccc(C(=O)NN)c(SCc2ccccc2)c1
InChIInChI=1S/C15H17N3O2S/c1-20-18-12-7-8-13(15(19)17-16)14(9-12)21-10-11-5-3-2-4-6-11/h2-9,18H,10,16H2,1H3,(H,17,19)
InChIKeyZADUZBPRKPXZNL-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.56
Rot. Bonds6

About 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide

2-benzylsulfanyl-4-(methoxyamino)benzohydrazide (PubChem CID 155063388) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide.

Molecular Properties

Compound Name2-benzylsulfanyl-4-(methoxyamino)benzohydrazide
PubChem CID155063388
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-benzylsulfanyl-4-(methoxyamino)benzohydrazide
SMILESCONc1ccc(C(=O)NN)c(SCc2ccccc2)c1
InChIInChI=1S/C15H17N3O2S/c1-20-18-12-7-8-13(15(19)17-16)14(9-12)21-10-11-5-3-2-4-6-11/h2-9,18H,10,16H2,1H3,(H,17,19)
InChIKeyZADUZBPRKPXZNL-UHFFFAOYSA-N
XLogP2.56
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-benzylsulfanylbenzoyl)amino]-2-chlorobenzoate
CID 28566816
2-benzylsulfanyl-N-(2,4-dimethylpentan-3-yl)benzamide
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(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
2-benzylsulfanyl-N-ethylbenzamide
CID 894590
methyl 3-amino-4-benzylsulfanylbenzoate
CID 61312286
4-chloro-N-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 154989588
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
2-amino-N-(4-benzylsulfanyl-3-methoxyphenyl)-3-phenylpropanamide;ethane
CID 156652623
N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 166748298
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
2-benzylsulfanyl-N-[1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 132666695
methyl 5-benzylsulfanyl-2-chloro-4-fluorobenzoate
CID 129242253

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide?
The IUPAC name of 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide (CID 155063388) is 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide.
What is the SMILES notation for 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide?
The canonical SMILES for 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide is CONc1ccc(C(=O)NN)c(SCc2ccccc2)c1.
What is the InChIKey of 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide?
The InChIKey is ZADUZBPRKPXZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-18-12-7-8-13(15(19)17-16)14(9-12)21-10-11-5-3-2-4-6-11/h2-9,18H,10,16H2,1H3,(H,17,19).
What are the key properties of 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide?
2-benzylsulfanyl-4-(methoxyamino)benzohydrazide has a molecular weight of 303.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-(methoxyamino)benzohydrazide is sourced from PubChem (CID 155063388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).