2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide

C15H13Cl2NO2S — CID 60627025

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NOCc1ccccc1
InChIInChI=1S/C15H13Cl2NO2S/c16-12-6-7-13(17)14(8-12)21-10-15(19)18-20-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyMOYGJAJEEQXHPR-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.33
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide

2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide (PubChem CID 60627025) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide
PubChem CID60627025
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NOCc1ccccc1
InChIInChI=1S/C15H13Cl2NO2S/c16-12-6-7-13(17)14(8-12)21-10-15(19)18-20-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyMOYGJAJEEQXHPR-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide
CID 32577082
N-phenylmethoxy-2-phenylsulfanylacetamide
CID 47095881
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701760
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
2-(3,4-dichlorophenyl)-N-phenylmethoxyacetamide
CID 8908973
2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701715
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
benzyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]acetate
CID 30287022
3-benzyl-1-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-1-methylthiourea
CID 2523245
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide (CID 60627025) is 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide is O=C(CSc1cc(Cl)ccc1Cl)NOCc1ccccc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide?
The InChIKey is MOYGJAJEEQXHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c16-12-6-7-13(17)14(8-12)21-10-15(19)18-20-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide has a molecular weight of 342.25 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide is sourced from PubChem (CID 60627025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).