2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide

C17H17N3O4S — CID 126187085

IUPAC2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccccc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H17N3O4S/c1-11-7-8-13(20(23)24)9-15(11)19-17(22)10-25-16-6-4-3-5-14(16)18-12(2)21/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeySEXNLNAWGXPTPG-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.59
Rot. Bonds6

About 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide

2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 126187085) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID126187085
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccccc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H17N3O4S/c1-11-7-8-13(20(23)24)9-15(11)19-17(22)10-25-16-6-4-3-5-14(16)18-12(2)21/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeySEXNLNAWGXPTPG-UHFFFAOYSA-N
XLogP3.59
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.59
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

2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7870436
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 9046262
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 3313199
2-methyl-N-[4-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22780298
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 40549952
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoate
CID 33049660
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771769
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
N-(2-methyl-5-nitrophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 27139065

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide (CID 126187085) is 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide is CC(=O)Nc1ccccc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is SEXNLNAWGXPTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-11-7-8-13(20(23)24)9-15(11)19-17(22)10-25-16-6-4-3-5-14(16)18-12(2)21/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 126187085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).