N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

C18H20N2O3S — CID 26880535

IUPACN-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O3S/c1-3-13-6-5-7-14(4-2)18(13)19-17(21)12-24-16-10-8-15(9-11-16)20(22)23/h5-11H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyICRUIWWZLLBLJJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.45
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 26880535) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID26880535
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O3S/c1-3-13-6-5-7-14(4-2)18(13)19-17(21)12-24-16-10-8-15(9-11-16)20(22)23/h5-11H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyICRUIWWZLLBLJJ-UHFFFAOYSA-N
XLogP4.45
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.45
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-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 2553207
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390
N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 47047335
N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 22780289
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
N-(3-bromophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 8713877
N-(2,5-dimethylpyrrol-1-yl)-2-(4-nitrophenyl)sulfanylacetamide
CID 43822413
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 26880535) is N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is CCc1cccc(CC)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is ICRUIWWZLLBLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-13-6-5-7-14(4-2)18(13)19-17(21)12-24-16-10-8-15(9-11-16)20(22)23/h5-11H,3-4,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 344.44 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 26880535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).