2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide

C14H15N3OS — CID 63580914

IUPAC2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide
SMILESNNC(=O)C(Sc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H15N3OS/c15-11-6-8-12(9-7-11)19-13(14(18)17-16)10-4-2-1-3-5-10/h1-9,13H,15-16H2,(H,17,18)
InChIKeyBHCKICQMRKXJLA-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide

2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide (PubChem CID 63580914) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide
PubChem CID63580914
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide
SMILESNNC(=O)C(Sc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H15N3OS/c15-11-6-8-12(9-7-11)19-13(14(18)17-16)10-4-2-1-3-5-10/h1-9,13H,15-16H2,(H,17,18)
InChIKeyBHCKICQMRKXJLA-UHFFFAOYSA-N
XLogP2.09
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-(4-nitrophenyl)sulfanyl-2-phenylacetohydrazide
CID 63581022
2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide
CID 63590815
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
2-(4-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylacetamide
CID 19630315
2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetohydrazide
CID 63581169
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide
CID 63581501
2-phenylpropanedihydrazide
CID 11424318

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide (CID 63580914) is 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide is NNC(=O)C(Sc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide?
The InChIKey is BHCKICQMRKXJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-11-6-8-12(9-7-11)19-13(14(18)17-16)10-4-2-1-3-5-10/h1-9,13H,15-16H2,(H,17,18).
What are the key properties of 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide?
2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide has a molecular weight of 273.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide is sourced from PubChem (CID 63580914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).