2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide

C14H12N2O4S — CID 104590183

IUPAC2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1cccc(O)c1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4S/c17-10-4-3-5-11(8-10)21-9-14(18)15-12-6-1-2-7-13(12)16(19)20/h1-8,17H,9H2,(H,15,18)
InChIKeySVENGIJZUTVUAU-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.03
Rot. Bonds5

About 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide

2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide (PubChem CID 104590183) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide
PubChem CID104590183
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1cccc(O)c1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4S/c17-10-4-3-5-11(8-10)21-9-14(18)15-12-6-1-2-7-13(12)16(19)20/h1-8,17H,9H2,(H,15,18)
InChIKeySVENGIJZUTVUAU-UHFFFAOYSA-N
XLogP3.03
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
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-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 22925705
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 3138497
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 2879195
3-[2-(2-nitrophenyl)ethylsulfanyl]phenol
CID 104590863
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide
CID 596702
[2-(2-nitroanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7352746
3-[2-(2-nitroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43238017
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
[2-(2-nitroanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate
CID 8525065
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide
CID 66219199

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide (CID 104590183) is 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide is O=C(CSc1cccc(O)c1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide?
The InChIKey is SVENGIJZUTVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-10-4-3-5-11(8-10)21-9-14(18)15-12-6-1-2-7-13(12)16(19)20/h1-8,17H,9H2,(H,15,18).
What are the key properties of 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide?
2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide has a molecular weight of 304.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 104590183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).