N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide

C16H15ClN2O3S — CID 9258857

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c17-13-3-7-15(8-4-13)23-10-9-18-16(20)11-12-1-5-14(6-2-12)19(21)22/h1-8H,9-11H2,(H,18,20)
InChIKeyVLPQCKWPIXQMMD-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 9258857) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide
PubChem CID9258857
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c17-13-3-7-15(8-4-13)23-10-9-18-16(20)11-12-1-5-14(6-2-12)19(21)22/h1-8H,9-11H2,(H,18,20)
InChIKeyVLPQCKWPIXQMMD-UHFFFAOYSA-N
XLogP3.70
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 2897719
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide
CID 100514943
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
1-chloro-4-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 15716431
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4832063
methyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]-5-nitrobenzoate
CID 9258815
3-(4-nitrophenyl)sulfanylpropanoyl chloride
CID 82041788
N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 9218215
4-nitro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 9482968
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]acetamide
CID 47011169

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide (CID 9258857) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is VLPQCKWPIXQMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-13-3-7-15(8-4-13)23-10-9-18-16(20)11-12-1-5-14(6-2-12)19(21)22/h1-8H,9-11H2,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 350.83 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9258857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).