N-(4-nitrophenyl)-2-phenylsulfanylacetamide

C14H12N2O3S — CID 3879245

IUPACN-(4-nitrophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O3S/c17-14(10-20-13-4-2-1-3-5-13)15-11-6-8-12(9-7-11)16(18)19/h1-9H,10H2,(H,15,17)
InChIKeyFQHFARDETBUNDD-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.33
Rot. Bonds5

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

N-(4-nitrophenyl)-2-phenylsulfanylacetamide (PubChem CID 3879245) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-phenylsulfanylacetamide
PubChem CID3879245
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(4-nitrophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O3S/c17-14(10-20-13-4-2-1-3-5-13)15-11-6-8-12(9-7-11)16(18)19/h1-9H,10H2,(H,15,17)
InChIKeyFQHFARDETBUNDD-UHFFFAOYSA-N
XLogP3.33
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.33
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-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-nitrobenzamide
CID 18905322
2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 5298939
3,3-dimethyl-N-[4-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19631057
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 7965036
2-(4-nitrophenyl)sulfanyl-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009233
(E)-4-[3-[2-(4-nitroanilino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18896789
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 24529878
2-(4-nitrophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2083460
N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylacetamide
CID 2206801

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-nitrophenyl)-2-phenylsulfanylacetamide (CID 3879245) is N-(4-nitrophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-phenylsulfanylacetamide?
The InChIKey is FQHFARDETBUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-14(10-20-13-4-2-1-3-5-13)15-11-6-8-12(9-7-11)16(18)19/h1-9H,10H2,(H,15,17).
What are the key properties of N-(4-nitrophenyl)-2-phenylsulfanylacetamide?
N-(4-nitrophenyl)-2-phenylsulfanylacetamide has a molecular weight of 288.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 3879245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).