N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide

C15H14N2O4S — CID 7900288

IUPACN-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCSc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4S/c1-22-12-6-4-5-11(9-12)16-15(18)10-21-14-8-3-2-7-13(14)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeySLOKKSNYCYHBHL-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.33
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide

N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 7900288) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID7900288
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCSc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4S/c1-22-12-6-4-5-11(9-12)16-15(18)10-21-14-8-3-2-7-13(14)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeySLOKKSNYCYHBHL-UHFFFAOYSA-N
XLogP3.33
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8893390
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
ethyl 3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717219
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
4-tert-butyl-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 3894529
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7891258
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 55825534

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide (CID 7900288) is N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide is CSc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is SLOKKSNYCYHBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-22-12-6-4-5-11(9-12)16-15(18)10-21-14-8-3-2-7-13(14)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide?
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 318.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7900288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).