2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide

C15H13ClN2O3S — CID 2498766

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CSc2ccccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O3S/c1-10-12(6-4-7-13(10)18(20)21)17-15(19)9-22-14-8-3-2-5-11(14)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyXXFNQVJMSZJKBA-UHFFFAOYSA-N
MW336.80 g/mol
LogP4.29
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 2498766) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID2498766
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CSc2ccccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O3S/c1-10-12(6-4-7-13(10)18(20)21)17-15(19)9-22-14-8-3-2-5-11(14)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyXXFNQVJMSZJKBA-UHFFFAOYSA-N
XLogP4.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 54.29
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-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992380
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 2228601
N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 3313199
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9394683
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771769
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488818
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43302526
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide (CID 2498766) is 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CSc2ccccc2Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is XXFNQVJMSZJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-10-12(6-4-7-13(10)18(20)21)17-15(19)9-22-14-8-3-2-5-11(14)16/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 336.80 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 2498766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).