N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

C19H16N2O4S — CID 17296537

IUPACN-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C19H16N2O4S/c22-18-10-15(21(24)25)8-9-17(18)20-19(23)12-26-11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10,22H,11-12H2,(H,20,23)
InChIKeyIAXAHBAWGCRLNG-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.33
Rot. Bonds6

About N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide

N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (PubChem CID 17296537) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
PubChem CID17296537
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C19H16N2O4S/c22-18-10-15(21(24)25)8-9-17(18)20-19(23)12-26-11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10,22H,11-12H2,(H,20,23)
InChIKeyIAXAHBAWGCRLNG-UHFFFAOYSA-N
XLogP4.33
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058100
N-(2-chloro-5-nitrophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 17359160
N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087808
N-(2-hydroxy-4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 9349754
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 4912372
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
methyl 3-methyl-4-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzoate
CID 17360507
N-naphthalen-2-yl-2-[(6-nitro-1H-indol-3-yl)methylsulfanyl]acetamide
CID 8022904
N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3390983
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide (CID 17296537) is N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is O=C(CSCc1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
The InChIKey is IAXAHBAWGCRLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-18-10-15(21(24)25)8-9-17(18)20-19(23)12-26-11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10,22H,11-12H2,(H,20,23).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide?
N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide has a molecular weight of 368.41 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 17296537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).