N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide

C15H14N2O4S — CID 2632387

IUPACN-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4S/c1-22-14-5-3-2-4-13(14)16-15(18)10-21-12-8-6-11(7-9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyCXPJEYIMJUSUNY-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.33
Rot. Bonds6

About N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide

N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 2632387) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID2632387
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4S/c1-22-14-5-3-2-4-13(14)16-15(18)10-21-12-8-6-11(7-9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyCXPJEYIMJUSUNY-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-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
N-(2-methylsulfanylphenyl)-2-naphthalen-2-yloxyacetamide
CID 4805358
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide (CID 2632387) is N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide is CSc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is CXPJEYIMJUSUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-22-14-5-3-2-4-13(14)16-15(18)10-21-12-8-6-11(7-9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide?
N-(2-methylsulfanylphenyl)-2-(4-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-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 2632387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).