2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide

C15H12Cl2N2O3S — CID 7870436

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O3S/c1-9-2-4-11(19(21)22)7-13(9)18-15(20)8-23-14-6-10(16)3-5-12(14)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyFXWTWPJLXNCOKP-UHFFFAOYSA-N
MW371.25 g/mol
LogP4.94
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 7870436) has the molecular formula C15H12Cl2N2O3S and a molecular weight of 371.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID7870436
Molecular FormulaC15H12Cl2N2O3S
Molecular Weight371.25 g/mol
Exact Mass369.99
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O3S/c1-9-2-4-11(19(21)22)7-13(9)18-15(20)8-23-14-6-10(16)3-5-12(14)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyFXWTWPJLXNCOKP-UHFFFAOYSA-N
XLogP4.94
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 54.94
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

2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 9046262
N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 3313199
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591556
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9331511
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
[(1S)-1-(4-chlorophenyl)ethyl]-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]azanium
CID 9336345
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 26894141
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771769

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide (CID 7870436) is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is FXWTWPJLXNCOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3S/c1-9-2-4-11(19(21)22)7-13(9)18-15(20)8-23-14-6-10(16)3-5-12(14)17/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 371.25 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 7870436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).