2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide

C22H18N4O2S2 — CID 44665432

IUPAC2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccccc1)C(=S)Nc1ccccc1NC(=S)C(=O)Nc1ccccc1
InChIInChI=1S/C22H18N4O2S2/c27-19(23-15-9-3-1-4-10-15)21(29)25-17-13-7-8-14-18(17)26-22(30)20(28)24-16-11-5-2-6-12-16/h1-14H,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyKCDSRKZVKKTERK-UHFFFAOYSA-N
MW434.55 g/mol
LogP4.44
Rot. Bonds4

About 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide

2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide (PubChem CID 44665432) has the molecular formula C22H18N4O2S2 and a molecular weight of 434.55 g/mol. Its IUPAC name is 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide
PubChem CID44665432
Molecular FormulaC22H18N4O2S2
Molecular Weight434.55 g/mol
Exact Mass434.09
IUPAC Name2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccccc1)C(=S)Nc1ccccc1NC(=S)C(=O)Nc1ccccc1
InChIInChI=1S/C22H18N4O2S2/c27-19(23-15-9-3-1-4-10-15)21(29)25-17-13-7-8-14-18(17)26-22(30)20(28)24-16-11-5-2-6-12-16/h1-14H,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyKCDSRKZVKKTERK-UHFFFAOYSA-N
XLogP4.44
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
CID 717412
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
CID 25049375
phenylurea;thiourea
CID 160770333
2-anilino-N-(2-nitro-3-pyridinyl)-2-sulfanylideneacetamide
CID 138454481
potassium 2-anilino-2-oxoacetate
CID 23690423
N'-hydroxy-N-phenyloxamide
CID 5008441
2-anilino-N-phenylprop-2-enamide
CID 20522355
3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545
N-phenyl-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 5101723
2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
CID 4517186
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
CID 3596672

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide?
The IUPAC name of 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide (CID 44665432) is 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide.
What is the SMILES notation for 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide?
The canonical SMILES for 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide is O=C(Nc1ccccc1)C(=S)Nc1ccccc1NC(=S)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide?
The InChIKey is KCDSRKZVKKTERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S2/c27-19(23-15-9-3-1-4-10-15)21(29)25-17-13-7-8-14-18(17)26-22(30)20(28)24-16-11-5-2-6-12-16/h1-14H,(H,23,27)(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide?
2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide has a molecular weight of 434.55 g/mol, XLogP of 4.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide is sourced from PubChem (CID 44665432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).