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

C14H11BrN2OS — CID 717412

IUPAC2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(=S)Nc1ccccc1
InChIInChI=1S/C14H11BrN2OS/c15-10-6-8-12(9-7-10)16-13(18)14(19)17-11-4-2-1-3-5-11/h1-9H,(H,16,18)(H,17,19)
InChIKeyWJKCGGSUPGVCDA-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.83
Rot. Bonds2

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

2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide (PubChem CID 717412) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
PubChem CID717412
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(=S)Nc1ccccc1
InChIInChI=1S/C14H11BrN2OS/c15-10-6-8-12(9-7-10)16-13(18)14(19)17-11-4-2-1-3-5-11/h1-9H,(H,16,18)(H,17,19)
InChIKeyWJKCGGSUPGVCDA-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide
CID 17386382
2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide
CID 44665432
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
CID 25049375
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609
N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
1-(4-bromobenzenecarbothioyl)-3-phenylurea
CID 5007969
N-(4-bromophenyl)-3-oxo-2-phenylprop-2-enamide
CID 176534523
N-(4-bromophenyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 790030
copper;bis(4-bromobenzoate);1,3-diphenylthiourea
CID 173358818
N'-hydroxy-N-phenyloxamide
CID 5008441
1-[4-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylthiourea
CID 19712984

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide (CID 717412) is 2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide is O=C(Nc1ccc(Br)cc1)C(=S)Nc1ccccc1.
What is the InChIKey of 2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide?
The InChIKey is WJKCGGSUPGVCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-10-6-8-12(9-7-10)16-13(18)14(19)17-11-4-2-1-3-5-11/h1-9H,(H,16,18)(H,17,19).
What are the key properties of 2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide?
2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide has a molecular weight of 335.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 717412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).