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

C15H14N2O3S — CID 41161935

IUPACN-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O3S/c1-16(12-7-9-13(10-8-12)17(19)20)15(18)11-21-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyGJMRVGRGEXXCFA-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.35
Rot. Bonds5

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

N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide (PubChem CID 41161935) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide
PubChem CID41161935
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O3S/c1-16(12-7-9-13(10-8-12)17(19)20)15(18)11-21-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyGJMRVGRGEXXCFA-UHFFFAOYSA-N
XLogP3.35
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide (CID 41161935) is N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide is CN(C(=O)CSc1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide?
The InChIKey is GJMRVGRGEXXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-16(12-7-9-13(10-8-12)17(19)20)15(18)11-21-14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide?
N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide has a molecular weight of 302.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 41161935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).