N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide

C15H13BrN2O2S — CID 17386382

IUPACN-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide
SMILESCOc1cccc(NC(=S)C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrN2O2S/c1-20-13-4-2-3-12(9-13)18-15(21)14(19)17-11-7-5-10(16)6-8-11/h2-9H,1H3,(H,17,19)(H,18,21)
InChIKeyFJAMLHGXXDFLIF-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.84
Rot. Bonds3

About N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide

N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide (PubChem CID 17386382) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide
PubChem CID17386382
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide
SMILESCOc1cccc(NC(=S)C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrN2O2S/c1-20-13-4-2-3-12(9-13)18-15(21)14(19)17-11-7-5-10(16)6-8-11/h2-9H,1H3,(H,17,19)(H,18,21)
InChIKeyFJAMLHGXXDFLIF-UHFFFAOYSA-N
XLogP3.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
CID 717412
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
CID 17386383
2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
CID 3432292
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
(Z)-N-(4-bromophenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide
CID 46248684
methane;N-(3-methoxyphenyl)acetamide
CID 161026095

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide (CID 17386382) is N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide is COc1cccc(NC(=S)C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide?
The InChIKey is FJAMLHGXXDFLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-20-13-4-2-3-12(9-13)18-15(21)14(19)17-11-7-5-10(16)6-8-11/h2-9H,1H3,(H,17,19)(H,18,21).
What are the key properties of N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide?
N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide has a molecular weight of 365.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide is sourced from PubChem (CID 17386382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).