2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide

C14H11N3O3S — CID 17385609

IUPAC2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=S)Nc1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-13(14(21)16-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)17(19)20/h1-9H,(H,15,18)(H,16,21)
InChIKeyOGXWXSOVYDVNCM-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.97
Rot. Bonds3

About 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide

2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide (PubChem CID 17385609) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
PubChem CID17385609
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=S)Nc1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-13(14(21)16-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)17(19)20/h1-9H,(H,15,18)(H,16,21)
InChIKeyOGXWXSOVYDVNCM-UHFFFAOYSA-N
XLogP2.97
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
CID 2771528
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
CID 25049375
3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide
CID 135510390
N-(4-nitrophenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 17386361
2-anilino-N-(2-nitro-3-pyridinyl)-2-sulfanylideneacetamide
CID 138454481
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
1-[(4-nitrophenyl)methyl]-3-phenylthiourea
CID 135077106
methyl 2-(4-nitroanilino)-2-oxoacetate
CID 12778881
4-[(4-nitrophenyl)carbamothioylamino]benzamide
CID 2956829
N,N'-bis(4-nitrophenyl)-2-phenylpropanediamide
CID 3396330
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide (CID 17385609) is 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C(=S)Nc1ccccc1.
What is the InChIKey of 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide?
The InChIKey is OGXWXSOVYDVNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-13(14(21)16-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)17(19)20/h1-9H,(H,15,18)(H,16,21).
What are the key properties of 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide?
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide has a molecular weight of 301.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 17385609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).