4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide

C15H15N5OS — CID 173497573

IUPAC4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide
SMILES[H]/N=N/N=C(N)CSc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N5OS/c16-14(19-20-17)10-22-13-8-6-11(7-9-13)15(21)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,21)(H3,16,17,19)
InChIKeyPLPUQJWYPWTHSI-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.33
Rot. Bonds6

About 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide

4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide (PubChem CID 173497573) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide
PubChem CID173497573
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide
SMILES[H]/N=N/N=C(N)CSc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N5OS/c16-14(19-20-17)10-22-13-8-6-11(7-9-13)15(21)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,21)(H3,16,17,19)
InChIKeyPLPUQJWYPWTHSI-UHFFFAOYSA-N
XLogP3.33
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]sulfanylbenzoyl]amino]benzoic acid
CID 172934400
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218
(E)-3-[4-[[4-(N'-diazenylcarbamimidoyl)benzoyl]amino]phenyl]prop-2-enoic acid
CID 173497578
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
2-[[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzamide
CID 22777221
2-[4-[[4-(N-methylanilino)sulfanylphenyl]carbamoyl]phenyl]sulfanylacetic acid
CID 166899609
N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
CID 22783049
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide?
The IUPAC name of 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide (CID 173497573) is 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide.
What is the SMILES notation for 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide?
The canonical SMILES for 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide is [H]/N=N/N=C(N)CSc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide?
The InChIKey is PLPUQJWYPWTHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-14(19-20-17)10-22-13-8-6-11(7-9-13)15(21)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,21)(H3,16,17,19).
What are the key properties of 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide?
4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide has a molecular weight of 313.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(iminohydrazinylidene)ethyl]sulfanyl-N-phenylbenzamide is sourced from PubChem (CID 173497573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).