N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide

C14H11BrN2O3S — CID 4173915

IUPACN-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C14H11BrN2O3S/c15-12-8-10(17(19)20)6-7-13(12)16-14(18)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,18)
InChIKeyYEQMYRRBIZWFHK-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.09
Rot. Bonds5

About N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide

N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide (PubChem CID 4173915) has the molecular formula C14H11BrN2O3S and a molecular weight of 367.22 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide
PubChem CID4173915
Molecular FormulaC14H11BrN2O3S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C14H11BrN2O3S/c15-12-8-10(17(19)20)6-7-13(12)16-14(18)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,18)
InChIKeyYEQMYRRBIZWFHK-UHFFFAOYSA-N
XLogP4.09
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[4-nitro-2-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide
CID 7821087
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 42962937
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-(2-bromo-4-nitrophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3439349
N-(2-bromo-4-nitrophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 21215154
N-(2-bromo-4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide;hydrochloride
CID 15945326
N-(2-bromo-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058100
N-(2-bromo-4-nitrophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 35638396
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
N-(2-bromo-4-nitrophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41237347
N-(2-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816
N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
CID 2946043

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide (CID 4173915) is N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide?
The InChIKey is YEQMYRRBIZWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S/c15-12-8-10(17(19)20)6-7-13(12)16-14(18)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,18).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide?
N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide has a molecular weight of 367.22 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 4173915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).