3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide

C15H17N3O2S — CID 79515162

IUPAC3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
SMILESCOc1ccc(N)c(SCc2cccc(C(=O)NN)c2)c1
InChIInChI=1S/C15H17N3O2S/c1-20-12-5-6-13(16)14(8-12)21-9-10-3-2-4-11(7-10)15(19)18-17/h2-8H,9,16-17H2,1H3,(H,18,19)
InChIKeyPCOQPEDIUPWVFD-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.17
Rot. Bonds5

About 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide

3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide (PubChem CID 79515162) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
PubChem CID79515162
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
SMILESCOc1ccc(N)c(SCc2cccc(C(=O)NN)c2)c1
InChIInChI=1S/C15H17N3O2S/c1-20-12-5-6-13(16)14(8-12)21-9-10-3-2-4-11(7-10)15(19)18-17/h2-8H,9,16-17H2,1H3,(H,18,19)
InChIKeyPCOQPEDIUPWVFD-UHFFFAOYSA-N
XLogP2.17
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909719
methyl 3-[(2-amino-5-fluorophenyl)sulfanylmethyl]benzoate
CID 79143786
3-[(4-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79148671
3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 55213516
3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 63582189
3-[(2-amino-4-bromophenyl)sulfanylmethyl]benzohydrazide
CID 63589210
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
CID 47172855
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide (CID 79515162) is 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide is COc1ccc(N)c(SCc2cccc(C(=O)NN)c2)c1.
What is the InChIKey of 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide?
The InChIKey is PCOQPEDIUPWVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-12-5-6-13(16)14(8-12)21-9-10-3-2-4-11(7-10)15(19)18-17/h2-8H,9,16-17H2,1H3,(H,18,19).
What are the key properties of 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide?
3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide has a molecular weight of 303.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 79515162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).