N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

C14H12Cl2N2O2S — CID 2341258

IUPACN-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESCc1ccc(Cl)c(NC(=O)CSc2cccc[n+]2[O-])c1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c1-9-5-6-10(15)14(13(9)16)17-11(19)8-21-12-4-2-3-7-18(12)20/h2-7H,8H2,1H3,(H,17,19)
InChIKeySGYPDCBNEPDDSK-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.67
Rot. Bonds4

About N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (PubChem CID 2341258) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
PubChem CID2341258
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESCc1ccc(Cl)c(NC(=O)CSc2cccc[n+]2[O-])c1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c1-9-5-6-10(15)14(13(9)16)17-11(19)8-21-12-4-2-3-7-18(12)20/h2-7H,8H2,1H3,(H,17,19)
InChIKeySGYPDCBNEPDDSK-UHFFFAOYSA-N
XLogP3.67
TPSA56.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-dichlorobenzyl)sulfanyl]-N-(pyridin-3-yl)acetamide
CID 951606
N-(5-chloro-2-cyanophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341253
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide
CID 4170622
N1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-(2-pyridylthio)acetamide
CID 2726087
N-(4-chloro-2-fluorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341260
N-(3-cyanophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2342459
2-[(2-chlorobenzyl)thio]-N-[2-(pyridin-2-ylthio)ethyl]acetamide
CID 4453669
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 5199797
N-(3,5-dichlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide
CID 4337636
N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-acetamide
CID 57328866
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 57328939
N-(2-chloro-4-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 3616038

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (CID 2341258) is N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is Cc1ccc(Cl)c(NC(=O)CSc2cccc[n+]2[O-])c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The InChIKey is SGYPDCBNEPDDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c1-9-5-6-10(15)14(13(9)16)17-11(19)8-21-12-4-2-3-7-18(12)20/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide has a molecular weight of 343.24 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is sourced from PubChem (CID 2341258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).